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Chemistry

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Also known as: 314728-85-3, 1-(4-benzoylpiperazin-1-yl)propan-1-one, Dm 235, Dm-235, Piperazine, 1-benzoyl-4-(1-oxopropyl)-, Sunifiram dm235
Molecular Formula
C14H18N2O2
Molecular Weight
246.30  g/mol
InChI Key
DGOWDUFJCINDGI-UHFFFAOYSA-N
FDA UNII
66924E735K

Sunifiram
1 2D Structure

Sunifiram

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(4-benzoylpiperazin-1-yl)propan-1-one
2.1.2 InChI
InChI=1S/C14H18N2O2/c1-2-13(17)15-8-10-16(11-9-15)14(18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
2.1.3 InChI Key
DGOWDUFJCINDGI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
66924E735K
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dm 235

2. Dm-235

3. Dm235 Cpd

2.3.2 Depositor-Supplied Synonyms

1. 314728-85-3

2. 1-(4-benzoylpiperazin-1-yl)propan-1-one

3. Dm 235

4. Dm-235

5. Piperazine, 1-benzoyl-4-(1-oxopropyl)-

6. Sunifiram Dm235

7. 66924e735k

8. 1-propanone, 1-(4-benzoyl-1-piperazinyl)-

9. Dm235 Cpd

10. Lopac-d-5689

11. Sunifiram/dm-235

12. Dm 235, Solid

13. Lopac0_000340

14. Mls002153160

15. Schembl195641

16. Chembl309176

17. Zinc8819

18. Dtxsid10400996

19. Dm235

20. Hms2235f24

21. Hms3261c21

22. Hms3369f12

23. Unii-66924e735k

24. Bcp07674

25. Tox21_500340

26. Mfcd04112755

27. Akos008915318

28. Ccg-204435

29. Hs-0093

30. Lp00340

31. Sdccgsbi-0050328.p002

32. Ncgc00015350-01

33. Ncgc00015350-02

34. Ncgc00015350-03

35. Ncgc00015350-04

36. Ncgc00015350-07

37. Ncgc00093779-01

38. Ncgc00093779-02

39. Ncgc00261025-01

40. Piperazine,1-benzoyl-4-(1-oxopropyl)-

41. Ac-31951

42. Da-17321

43. Hy-17550

44. Smr001230654

45. Eu-0100340

46. Ft-0699900

47. Piperazine; Dm-235; Dm 235; Dm235

48. Vu0474076-1

49. A51174

50. D 5689

51. A875897

52. Sr-01000075821

53. 1-(4-benzoylpiperazin-1-yl)propan-1-one;sunifiram

54. J-018438

55. Q6590525

56. Sr-01000075821-1

2.4 Create Date
2005-09-13
3 Chemical and Physical Properties
Molecular Weight 246.30 g/mol
Molecular Formula C14H18N2O2
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass246.136827821 g/mol
Monoisotopic Mass246.136827821 g/mol
Topological Polar Surface Area40.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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