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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

CAS 40172-95-0
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 Weight 180.20 g/mol
Molecular Formula C9H12N2O2
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass180.089877630 g/mol
Monoisotopic Mass180.089877630 g/mol
Topological Polar Surface Area45.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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