CAS 1096-03-3

Chemistry, 3 End Use API, 4 Related Intermediates

Manufacturers/Suppliers

3 Suppliers

3 Suppliers

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

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 Formula	C₁₉H₂₃N₃O
Molecular Weight	309.4 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	309.184112366 g/mol
Monoisotopic Mass	309.184112366 g/mol
Topological Polar Surface Area	58.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	378
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1