CAS 40172-95-0

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8 Related Intermediates

Chemistry

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Also known as: 40172-95-0, Furan-2-yl(piperazin-1-yl)methanone, N-(2-furoyl)piperazine, 1-(2-furoyl)-piperazine, 1-(furan-2-carbonyl)piperazine, Piperazine, 1-(2-furanylcarbonyl)-

Molecular Formula

C₉H₁₂N₂O₂

Molecular Weight

180.20 g/mol

InChI Key

SADPINFEWFPMEA-UHFFFAOYSA-N

FDA UNII

8AUX72LL1P

1 2D Structure

CAS 40172-95-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

furan-2-yl(piperazin-1-yl)methanone

2.1.2 InChI

InChI=1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2

2.1.3 InChI Key

SADPINFEWFPMEA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C(=O)C2=CC=CO2

2.2 Other Identifiers

2.2.1 UNII

8AUX72LL1P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 40172-95-0

2. Furan-2-yl(piperazin-1-yl)methanone

3. N-(2-furoyl)piperazine

4. 1-(2-furoyl)-piperazine

5. 1-(furan-2-carbonyl)piperazine

6. Piperazine, 1-(2-furanylcarbonyl)-

7. 1-(furan-2-ylcarbonyl)piperazine

8. N-(2-furoyl) Piperazine

9. Mfcd00038831

10. (furan-2-yl)(piperazin-1-yl)methanone

11. 8aux72ll1p

12. 2-furanyl-1-piperazinylmethanone

13. Furan-2-yl-piperazin-1-yl-methanone

14. Chemdiv2_000230

15. Unii-8aux72ll1p

16. Furoylpiperazine

17. N-furoylpiperazine

18. 1-furoylpiperazine

19. N-furoyl Piperazine

20. 2-furoyl Piperazine

21. Einecs 254-823-7

22. 2-furoic Piperazide

23. Terazosin Impurity L

24. N-2-furoyl Piperazine

25. Prazosin Ep Impurity D

26. 2-furylpiperazino Ketone

27. 2-(2-furoyl)piperazine

28. Dsstox_cid_31524

29. Dsstox_rid_97409

30. Dsstox_gsid_57735

31. Oprea1_198664

32. Schembl28752

33. 1-(2-furylcarbonyl)piperazine

34. Chembl3560648

35. Dtxsid7057735

36. 1-(2-furoyl)piperazine, 97%

37. Hms1369k10

38. Zinc236148

39. 1-(2-furanyl Carbonyl) Piperazine

40. N-(furan-2-oyl)piperazine

41. 1-(furan-2-yl-methanoyl)piperazine

42. Tox21_113787

43. 1-[(furan-2-yl)carbonyl]piperazine

44. Stk324579

45. Akos000264123

46. Fs-1231

47. Sb61034

48. Sdccgmls-0065725.p001

49. Ncgc00253662-01

50. Bp-13003

51. Cas-40172-95-0

52. Db-005583

53. A6716

54. Eu-0033740

55. Ft-0601276

56. Prazosin Related Compound D [usp-rs]

57. H10776

58. Ab00123261-02

59. Ak-968/40153077

60. Sr-01000391623

61. Sr-01000391623-1

62. W-106385

63. 1-pentanonmethanone, 2-furanyl-1-piperazinyl-

64. Prazosin Hydrochloride Impurity D [ep Impurity]

65. Q27270123

66. F0266-0467

67. Terazosin Hydrochloride Dihydrate Impurity L [ep Impurity]

68. Terazosin Impurity L, European Pharmacopoeia (ep) Reference Standard

69. N-(2-furancarbonyl)piperazine; Prazosin Bp Impurity D; Terazosin Ep Impurity L; 1-(furan-2-ylcarbonyl)piperazine; 2-furanyl-1-piperazinylmethanone

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₂O₂
Molecular Weight	180.20 g/mol
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.089877630 g/mol
Monoisotopic Mass	180.089877630 g/mol
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190
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