CAS 5625-67-2

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Also known as: 5625-67-2, 2-piperazinone, 2-oxopiperazine, Piperazinone, Piperazine-2-one, 2-ketopiperazine

Molecular Formula

C₄H₈N₂O

Molecular Weight

100.12 g/mol

InChI Key

IWELDVXSEVIIGI-UHFFFAOYSA-N

FDA UNII

K9H2S9K98E

1 2D Structure

CAS 5625-67-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

piperazin-2-one

2.1.2 InChI

InChI=1S/C4H8N2O/c7-4-3-5-1-2-6-4/h5H,1-3H2,(H,6,7)

2.1.3 InChI Key

IWELDVXSEVIIGI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNC(=O)CN1

2.2 Other Identifiers

2.2.1 UNII

K9H2S9K98E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-piperazinone

2.3.2 Depositor-Supplied Synonyms

1. 5625-67-2

2. 2-piperazinone

3. 2-oxopiperazine

4. Piperazinone

5. Piperazine-2-one

6. 2-ketopiperazine

7. Mfcd01318687

8. K9h2s9k98e

9. 3,4,5,6-tetrahydropyrazin-2-ol

10. Nsc-27441

11. Oxopiperazine

12. Keto Piperazine

13. 3-oxopiperazine

14. Piperazin-3-one

15. Piperizin-2-one

16. Piperazin-2-on

17. 2-oxo-piperazine

18. 2-piperazine-one

19. Nsc27441

20. 2-oxopiperazine--d6

21. 2-oxopiperazine, 97%

22. Schembl5194

23. Unii-k9h2s9k98e

24. Piperazin-2-one;2-oxopiperazine

25. Dtxsid10282698

26. Chebi:195071

27. Bcp26674

28. Cs-b0039

29. Str07287

30. Nsc 27441

31. Stk025825

32. Stl301724

33. Akos000269318

34. Akos022140684

35. Ac-1109

36. Pb23229

37. Ps-9326

38. 2(1h)-pyrazinone, Tetrahydro-

39. Bp-11215

40. Hy-20128

41. Sy002559

42. Db-031180

43. A8081

44. Am20100386

45. Ft-0649566

46. P1867

47. En300-08705

48. W-203124

49. Z56968535

50. F1775-0070

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₈N₂O
Molecular Weight	100.12 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.1
Heavy Atom Count	7
Formal Charge	0
Complexity	81.8
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

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