ChemSpider 2D Image | N-{4-[4-(2-Phenylbutanoyl)-1-piperazinyl]-3-(1-piperidinylcarbonyl)phenyl}-1,3-benzodioxole-5-carboxamide | C34H38N4O5

N-{4-[4-(2-Phenylbutanoyl)-1-piperazinyl]-3-(1-piperidinylcarbonyl)phenyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID22687588

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[4-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-3-(1-piperidinylcarbonyl)phenyl]- [ACD/Index Name]
N-{4-[4-(2-Phenylbutanoyl)-1-piperazinyl]-3-(1-piperidinylcarbonyl)phenyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
N-{4-[4-(2-Phenylbutanoyl)-1-piperazinyl]-3-(1-piperidinylcarbonyl)phenyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-{4-[4-(2-Phénylbutanoyl)-1-pipérazinyl]-3-(1-pipéridinylcarbonyl)phényl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 410.8±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.36
ACD/KOC (pH 5.5): 1161.00
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.56
ACD/KOC (pH 7.4): 1162.77
Polar Surface Area: 91 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 453.6±3.0 cm3

Click to predict properties on the Chemicalize site


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