DSSTox_CID_3725

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Also known as: 30751-05-4, Aplace, 3,4,5-trimethoxy-n-(3-piperidyl)benzamide, Benzamide, 3,4,5-trimethoxy-n-3-piperidinyl-, Ku-54, 99777-81-8

Molecular Formula

C₁₅H₂₂N₂O₄

Molecular Weight

294.35 g/mol

InChI Key

YSIITVVESCNIPR-UHFFFAOYSA-N

FDA UNII

W6QJX1Q00Z

1 2D Structure

DSSTox_CID_3725

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,4,5-trimethoxy-N-piperidin-3-ylbenzamide

2.1.2 InChI

InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)

2.1.3 InChI Key

YSIITVVESCNIPR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2

2.2 Other Identifiers

2.2.1 UNII

W6QJX1Q00Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(3,4,5-trimethoxybenzamido)piperidine

2. Ku 54

3. Ku-54

4. Troxipide Hydrochloride

2.3.2 Depositor-Supplied Synonyms

1. 30751-05-4

2. Aplace

3. 3,4,5-trimethoxy-n-(3-piperidyl)benzamide

4. Benzamide, 3,4,5-trimethoxy-n-3-piperidinyl-

5. Ku-54

6. 99777-81-8

7. 3,4,5-trimethoxy-n-piperidin-3-ylbenzamide

8. W6qjx1q00z

9. 3,4,5-trimethoxy-n-(piperidin-3-yl)benzamide

10. Ncgc00183029-01

11. Dsstox_cid_3725

12. Dsstox_rid_77167

13. Dsstox_gsid_23725

14. Troxipidum [latin]

15. Troxipida [spanish]

16. Troxipidum

17. Troxipida

18. Troxipide [inn:jan]

19. 3-(3,4,5-trimethoxybenzamido)piperidine

20. Smr000466385

21. Cas-30751-05-4

22. Unii-w6qjx1q00z

23. Brn 0493078

24. Troxipide,(s)

25. Aplace (tn)

26. Troxipide [inn]

27. Troxipide [jan]

28. Troxipide [mi]

29. Troxipide (jp17/inn)

30. Troxipide [mart.]

31. Troxipide [who-dd]

32. (+-)-3,4,5-trimethoxy-n-3-piperidylbenzamide

33. Benzamide, N-(3-piperidyl)-3,4,5-trimethoxy-

34. 5-22-08-00030 (beilstein Handbook Reference)

35. Mls000759522

36. Mls001424037

37. Schembl400623

38. Amy597

39. Ku54

40. Chembl1566956

41. Dtxsid2023725

42. Schembl23045919

43. Chebi:32271

44. Hms2051a06

45. Hms3393a06

46. Hms3652m18

47. Hms3715b22

48. Bcp05229

49. Hy-b0758

50. Tox21_113383

51. Mfcd00866876

52. S4128

53. Akos000152736

54. Akos022185033

55. Tox21_113383_1

56. Ac-4719

57. Bcp9000020

58. Ccg-100839

59. Ccg-221210

60. Cs-5208

61. Db13419

62. Nc00089

63. Ncgc00183029-02

64. As-12264

65. Bt166208

66. Db-047896

67. Ft-0630556

68. Ft-0658522

69. N-(3-piperidyl)-3,4,5-trimethoxybenzamide

70. Sw197469-2

71. T2909

72. D01306

73. F15012

74. Ab00639980-04

75. Ab00639980_07

76. 3,4,5-tris(methyloxy)-n-piperidin-3-ylbenzamide

77. 751t054

78. A820606

79. J-018108

80. Q-100918

81. Q4381806

82. Troxipide 3,4,5-trimethoxy-n-(3-piperidyl)benzamide

83. (+/-)-3,4,5-trimethoxy-n-3-piperidylbenzamide

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂N₂O₄
Molecular Weight	294.35 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	294.15795719 g/mol
Monoisotopic Mass	294.15795719 g/mol
Topological Polar Surface Area	68.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1