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Also known as: 1096-03-3, 1-benzyl-4-(phenylamino)piperidine-4-carboxamide, 4-(phenylamino)-1-benzyl-4-piperidinecarboxamide, Yo1ip87ntp, 4-anilino-1-benzyl-4-piperidinecarboxamide, Mfcd00474726
Molecular Formula
C19H23N3O
Molecular Weight
309.4  g/mol
InChI Key
PUFOFCNHIWPPNN-UHFFFAOYSA-N
FDA UNII
YO1IP87NTP

CAS 1096-03-3
1 2D Structure

CAS 1096-03-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-anilino-1-benzylpiperidine-4-carboxamide
2.1.2 InChI
InChI=1S/C19H23N3O/c20-18(23)19(21-17-9-5-2-6-10-17)11-13-22(14-12-19)15-16-7-3-1-4-8-16/h1-10,21H,11-15H2,(H2,20,23)
2.1.3 InChI Key
PUFOFCNHIWPPNN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1(C(=O)N)NC2=CC=CC=C2)CC3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
YO1IP87NTP
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1096-03-3

2. 1-benzyl-4-(phenylamino)piperidine-4-carboxamide

3. 4-(phenylamino)-1-benzyl-4-piperidinecarboxamide

4. Yo1ip87ntp

5. 4-anilino-1-benzyl-4-piperidinecarboxamide

6. Mfcd00474726

7. Nsc-73749

8. Nsc73749

9. Einecs 214-141-2

10. Unii-yo1ip87ntp

11. Chemdiv3_014186

12. Nciopen2_008848

13. Oprea1_701669

14. Oprea1_855958

15. Mls003960116

16. Chembl387884

17. Qspl 402

18. Schembl2996293

19. Dtxsid70148988

20. Hms1513e18

21. Zinc265757

22. Albb-006605

23. Nsc 73749

24. Stk504027

25. Akos000265654

26. Hs-0024

27. Idi1_029984

28. Smr001601276

29. Sy084670

30. Db-050184

31. Cs-0321355

32. Ft-0673694

33. N-benzyl-4-anilino-4-piperidine Carboxamide

34. F11784

35. Ae-641/03239053

36. Sr-01000596968

37. J-002309

38. Sr-01000596968-1

39. 4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxamide

40. 4-piperidinecarboxamide, 4-(phenylamino)-1-(phenylmethyl)-

41. Remifentanil Hydrochloride Impurity I [ep Impurity]

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 309.4 g/mol
Molecular Formula C19H23N3O
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass309.184112366 g/mol
Monoisotopic Mass309.184112366 g/mol
Topological Polar Surface Area58.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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