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Also known as: 120014-07-5, 145546-80-1, 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine, (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one, Donepezil related compound a, (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3h-inden-1-one
Molecular Formula
C24H27NO3
Molecular Weight
377.5  g/mol
InChI Key
LPMOTUSFDTTWJL-UDWIEESQSA-N
FDA UNII
1D3K90DIY3

CAS 145546-80-1
1 2D Structure

CAS 145546-80-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
2.1.2 InChI
InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
2.1.3 InChI Key
LPMOTUSFDTTWJL-UDWIEESQSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OC
2.1.5 Isomeric SMILES
COC1=C(C=C2C(=C1)C/C(=C\C3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC
2.2 Other Identifiers
2.2.1 UNII
1D3K90DIY3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 120014-07-5

2. 145546-80-1

3. 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine

4. (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

5. Donepezil Related Compound A

6. (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3h-inden-1-one

7. 1d3k90diy3

8. Chembl168938

9. (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

10. (2e)-dehydrodonepezil

11. (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one

12. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2e)-

13. 2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (e)-

14. 2-[1-(1-benzyl-piperidin-4-yl)-meth-(e)-ylidene]-5,6-dimethoxy-indan-1-one

15. (2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one

16. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methylene)-, (2e)-

17. (e)-2-[(1-benzylpiperidin-4-yl)methylene]-5,6-dimethoxyindan-1-one

18. Donepezil Impurity 14

19. Unii-1d3k90diy3

20. 1-benzyl-4-((5,6-dimethoxy-1-oxoindan-2-ylidene)methyl)piperidine

21. 2-[(1-benzylpiperidin-4-yl)methylene]-2,3-dihydro-5,6-dimethoxyinden-1-one

22. Zinc597028

23. Bcp28366

24. Vfa54680

25. Bdbm50280646

26. Mfcd08693144

27. Donepezil Related Compound A- [usp]

28. Akos000277341

29. Cs-w006058

30. Dehydro Donepezil (donepezil Impurity)

31. Ds-0813

32. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

33. Ac-26327

34. Cs-0166756

35. Donepezil Related Compound A [usp-rs]

36. 014b075

37. Donepezil Related Compound A [usp Impurity]

38. Q27252264

39. Donepezil Hydrochloride Impurity F [ep Impurity]

40. 2-[(1-benzyl-4-piperidyl)methylene]-5,6-dimethoxy-1-indanone

41. (e)-2-(1-benzyl-4-piperidylmethylene)-5,6-dimethoxy-1-indanone

42. 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)-piperidine

43. 2-[(1-benzylpiperidine-4-yl)methylene]-5,6-dimethoxyindan-1-one

44. 1h-inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

45. 2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydroinden-1-one

46. (e)-2-[(1-benzylpiperidin-4-yl)methylene]-5,6-dimethoxyindan-1-one(donepezil Related Compound A)

47. Dz7

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 377.5 g/mol
Molecular Formula C24H27NO3
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass377.19909372 g/mol
Monoisotopic Mass377.19909372 g/mol
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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