ChemSpider 2D Image | 4'-[4-(tert-butylamino)piperidin-1-yl]-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}biphenyl-4-carboxamide | C31H41N5O2

4'-[4-(tert-butylamino)piperidin-1-yl]-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}biphenyl-4-carboxamide

  • Molecular FormulaC31H41N5O2
  • Average mass515.690 Da
  • Monoisotopic mass515.326050 Da
  • ChemSpider ID9737381

More details:

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

4'-[4-(tert-butylamino)piperidin-1-yl]-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}biphenyl-4-carboxamide
Cyclohexanecarboxamide, N-(cyanomethyl)-1-[[[4'-[4-[(1,1-dimethylethyl)amino]-1-piperidinyl][1,1'-biphenyl]-4-yl]carbonyl]amino]- [ACD/Index Name]
N-{1-[(Cyanmethyl)carbamoyl]cyclohexyl}-4'-{4-[(2-methyl-2-propanyl)amino]-1-piperidinyl}-4-biphenylcarboxamid [German] [ACD/IUPAC Name]
N-{1-[(Cyanomethyl)carbamoyl]cyclohexyl}-4'-{4-[(2-methyl-2-propanyl)amino]-1-piperidinyl}-4-biphenylcarboxamide [ACD/IUPAC Name]
N-{1-[(Cyanométhyl)carbamoyl]cyclohexyl}-4'-{4-[(2-méthyl-2-propanyl)amino]-1-pipéridinyl}-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
4'-(4-tert-Butylamino-piperidin-1-yl)-biphenyl-4-carboxylic acid [1-(cyanomethyl-carbamoyl)-cyclohexyl]-amide
CHEMBL199163

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.11
ACD/KOC (pH 7.4): 7.14
Polar Surface Area: 97 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 437.8±5.0 cm3

Click to predict properties on the Chemicalize site


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