ChemSpider 2D Image | N-[3-(1-Azepanyl)propyl]-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide | C30H41N3O5

N-[3-(1-Azepanyl)propyl]-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID20229037

More details:






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

3-Piperidinecarboxamide, 2-(3,4-dimethoxyphenyl)-N-[3-(hexahydro-1H-azepin-1-yl)propyl]-1-(4-methoxyphenyl)-6-oxo- [ACD/Index Name]
N-[3-(1-Azepanyl)propyl]-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[3-(1-Azepanyl)propyl]-2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxamide [ACD/IUPAC Name]
N-[3-(1-Azépanyl)propyl]-2-(3,4-diméthoxyphényl)-1-(4-méthoxyphényl)-6-oxo-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 768.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 418.3±32.9 °C
Index of Refraction: 1.554
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.53
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 14.74
Polar Surface Area: 80 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 458.7±3.0 cm3

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