CAS 29976-53-2

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5 End Use APIs
60 Related Intermediates

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Also known as: 29976-53-2, Ethyl 4-oxopiperidine-1-carboxylate, Ethyl 4-oxo-1-piperidinecarboxylate, N-carboethoxy-4-piperidone, 1-ethoxycarbonyl-4-piperidone, 1-carbethoxy-4-piperidone

Molecular Formula

C₈H₁₃NO₃

Molecular Weight

171.19 g/mol

InChI Key

LUBGFMZTGFXIIN-UHFFFAOYSA-N

FDA UNII

7H5JX1S259

1 2D Structure

CAS 29976-53-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 4-oxopiperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

2.1.3 InChI Key

LUBGFMZTGFXIIN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)N1CCC(=O)CC1

2.2 Other Identifiers

2.2.1 UNII

7H5JX1S259

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 29976-53-2

2. Ethyl 4-oxopiperidine-1-carboxylate

3. Ethyl 4-oxo-1-piperidinecarboxylate

4. N-carboethoxy-4-piperidone

5. 1-ethoxycarbonyl-4-piperidone

6. 1-carbethoxy-4-piperidone

7. 1-piperidinecarboxylic Acid, 4-oxo-, Ethyl Ester

8. N-ethoxycarbonyl-4-piperidone

9. 4-oxo-1-piperidinecarboxylic Acid Ethyl Ester

10. 1-(ethoxycarbonyl)-4-piperidone

11. Mfcd00006188

12. 1-ethoxycarbonyl-4-piperidinone

13. 1-ethoxycarbonyl-4-oxopiperidine

14. N-ethoxycarbonyl-4-piperidinone

15. 4-oxo-piperidine-1-carboxylic Acid Ethyl Ester

16. 7h5jx1s259

17. Nsc-139022

18. N-carbethoxy-4-piperidon

19. Unii-7h5jx1s259

20. Ethyl 4-oxopiperidinecarboxylate

21. Einecs 249-984-5

22. Loratadine Impurity H

23. 1-carboethoxy-4-piperidone

24. N-carbethoxy-4-piperidinone

25. 1-carbethoxypiperidin-4-one

26. Dsstox_cid_31493

27. Dsstox_rid_97378

28. Dsstox_gsid_57704

29. Schembl158497

30. Dtxsid0057704

31. Ethyl 4-piperidone-n-carboxylate

32. Zinc155166

33. Act02145

34. Bcp23114

35. Hy-y0217

36. Tox21_113793

37. Nsc139022

38. Stl183271

39. Ethyl 4-oxo-piperidine-1-carboxylate

40. Akos000119559

41. Gs-3033

42. Nsc 139022

43. 1-(carboethoxy)-4-piperidinone

44. Ncgc00253669-01

45. Ethyl 4-oxo-1-piperidinecarboxylate, 98%

46. Cas-29976-53-2

47. Db-002178

48. Loratadine Impurity H [ep Impurity]

49. A5543

50. Am20090403

51. Cs-0008473

52. E0403

53. Ft-0607567

54. 4-oxopiperidine-1-carboxylic Acid Ethyl Ester

55. Sr-01000944742

56. Sr-01000944742-1

57. W-106965

58. Q27268281

59. Z33618657

60. F1908-0061

61. Ethyl 4-oxopiperidine-1-carboxylate;ethyl4-oxopiperidine-1-carboxylate

62. Loratadine Impurity H, European Pharmacopoeia (ep) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₃NO₃
Molecular Weight	171.19 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	171.08954328 g/mol
Monoisotopic Mass	171.08954328 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	181
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