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2D Structure
Also known as: Jnj-40411813, 1127498-03-6, Adx-71149, Jnj40411813, Jnj 40411813, 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
Molecular Formula
C20H25ClN2O
Molecular Weight
344.9  g/mol
InChI Key
HYOGJHCDLQSAHX-UHFFFAOYSA-N
FDA UNII
612BYT76F3

JNJ-40411813 has been used in trials studying the treatment and basic science of Confusion, Schizophrenia, Perceptual Disorders, and Major Depressive Disorder.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
2.1.2 InChI
InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
2.1.3 InChI Key
HYOGJHCDLQSAHX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
612BYT76F3
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1h)-pyridone

2. Adx71149

3. Jnj-40411813

2.3.2 Depositor-Supplied Synonyms

1. Jnj-40411813

2. 1127498-03-6

3. Adx-71149

4. Jnj40411813

5. Jnj 40411813

6. 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

7. Chembl3337527

8. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1h)-pyridone

9. 612byt76f3

10. 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2(1h)-one

11. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-[1,4']bipyridinyl-2'-one

12. 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one

13. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-(1,4')bipyridinyl-2'-one

14. Adx71149

15. Adx 71149

16. Unii-612byt76f3

17. Gtpl8946

18. Schembl1035416

19. Dtxsid601032323

20. Bcp23709

21. Cvb49803

22. Ex-a2902

23. Bdbm50051408

24. Zinc59047060

25. Cs-3357

26. Db12059

27. Sb16990

28. Adx-71149adx-71149

29. Ncgc00485897-01

30. Ac-35478

31. Da-15400

32. Hy-15748

33. Ft-0752754

34. Jnj-40411813; Adx-71149

35. A894527

36. Q27895859

37. 3-chloro-1-butyl-4-(4-phenylpiperidino)pyridine-2(1h)-one

38. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1h)-pyridinone

39. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1 'h-[1,4']bipyridinyl-2'-one

40. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-[1,4]bipyridinyl-2'-one

41. Jnj-40411813; Jnj 40411813; Adx71149; Adx 71149; Adx-71149

42. Hzr

2.4 Create Date
2009-03-30
3 Chemical and Physical Properties
Molecular Weight 344.9 g/mol
Molecular Formula C20H25ClN2O
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass344.1655411 g/mol
Monoisotopic Mass344.1655411 g/mol
Topological Polar Surface Area23.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1