CAS 25503-90-6

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3 End Use APIs
39 Related Intermediates

Chemistry

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Also known as: 25503-90-6, 1-acetyl-4-piperidinecarboxylic acid, 1-acetylisonipecotic acid, N-acetylisonipecotic acid, 4-piperidinecarboxylic acid, 1-acetyl-, 1-acetyl-4-piperidine carboxylic acid

Molecular Formula

C₈H₁₃NO₃

Molecular Weight

171.19 g/mol

InChI Key

WFCLWJHOKCQYOQ-UHFFFAOYSA-N

FDA UNII

G4N4ECA9RB

1 2D Structure

CAS 25503-90-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-acetylpiperidine-4-carboxylic acid

2.1.2 InChI

InChI=1S/C8H13NO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)

2.1.3 InChI Key

WFCLWJHOKCQYOQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)N1CCC(CC1)C(=O)O

2.2 Other Identifiers

2.2.1 UNII

G4N4ECA9RB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 25503-90-6

2. 1-acetyl-4-piperidinecarboxylic Acid

3. 1-acetylisonipecotic Acid

4. N-acetylisonipecotic Acid

5. 4-piperidinecarboxylic Acid, 1-acetyl-

6. 1-acetyl-4-piperidine Carboxylic Acid

7. G4n4eca9rb

8. N-acetyl-4-piperidinecarboxylic Acid

9. N-acetylpiperidine-4-carboxylic Acid

10. Mfcd00023706

11. 1-acetyl-piperidine-4-carboxylic Acid

12. Maybridge1_003128

13. Einecs 247-049-6

14. 1-acetylpiperidine-4-carboxylic Acid,

15. Unii-g4n4eca9rb

16. N-acetyl Isonipecotic Acid

17. N-acetylisonipecotinic Acid

18. 4-carboxypiperidineacetamide

19. Schembl191353

20. Hms550g04

21. Zinc58130

22. Dtxsid80180192

23. Acetylpiperidine-4-carboxylic Acid

24. 1-acetylpiperidin-4-carboxylic Acid

25. 1-acetylpiperidine-4-carboxylicacid

26. Amy32509

27. 1_acetylpiperidine_4_carboxylic_acid

28. 4-acetylpiperidine-1-carboxylic Acid

29. Bbl022569

30. Ccg-48266

31. Stl170033

32. L-acetyl-piperidine-4-carboxylic Acid

33. Akos000264472

34. Sb17852

35. Ac-15315

36. Bp-10288

37. Sy007534

38. 1-acetylpiperidine-4-carboxylic Acid, 97%

39. Db-013081

40. Cs-0011192

41. Ft-0607294

42. 5p-083

43. 503a906

44. Aq-358/42531503

45. Q-103010

46. Sr-01000637821-1

47. F2190-0008

2.4 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃NO₃
Molecular Weight	171.19 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	171.08954328 g/mol
Monoisotopic Mass	171.08954328 g/mol
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	195
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