ChemSpider 2D Image | (1R,2S)-2-{[4-(4-Cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]carbonyl}-N-methylcyclohexanecarboxamide | C21H33N5O2

(1R,2S)-2-{[4-(4-Cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]carbonyl}-N-methylcyclohexanecarboxamide

  • Molecular FormulaC21H33N5O2
  • Average mass387.519 Da
  • Monoisotopic mass387.263428 Da
  • ChemSpider ID24832865

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S)-2-{[4-(4-Cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]carbonyl}-N-methylcyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,2S)-2-{[4-(4-Cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]carbonyl}-N-methylcyclohexanecarboxamide [ACD/IUPAC Name]
(1R,2S)-2-{[4-(4-Cyclopentyl-1H-1,2,3-triazol-1-yl)-1-pipéridinyl]carbonyl}-N-méthylcyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, 2-[[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-piperidinyl]carbonyl]-N-methyl-, (1R,2S)- [ACD/Index Name]
(1R*,2S*)-2-{[4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)piperidin-1-yl]carbonyl}-N-methylcyclohexanecarboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.678
Molar Refractivity: 107.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.03
ACD/KOC (pH 5.5): 425.46
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.04
ACD/KOC (pH 7.4): 425.51
Polar Surface Area: 80 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 54.7±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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