ChemSpider 2D Image | 4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-cyclohexyl-1-piperazinecarboxamide | C31H39N5O5

4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-cyclohexyl-1-piperazinecarboxamide

  • Molecular FormulaC31H39N5O5
  • Average mass561.672 Da
  • Monoisotopic mass561.295105 Da
  • ChemSpider ID22687356

More details:






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

1-Piperazinecarboxamide, 4-[4-[(1,3-benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl]-N-cyclohexyl- [ACD/Index Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-cyclohexyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-piperidinylcarbonyl)phenyl}-N-cyclohexyl-1-piperazinecarboxamide [ACD/IUPAC Name]
4-{4-[(1,3-Benzodioxol-5-ylcarbonyl)amino]-2-(1-pipéridinylcarbonyl)phényl}-N-cyclohexyl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 772.2±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: 420.8±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 55.91
ACD/KOC (pH 5.5): 619.22
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.19
ACD/KOC (pH 7.4): 622.30
Polar Surface Area: 103 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 418.7±5.0 cm3

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