ChemSpider 2D Image | methyl {1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl carbonate | C25H32N2O4

methyl {1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl carbonate

  • Molecular FormulaC25H32N2O4
  • Average mass424.533 Da
  • Monoisotopic mass424.236206 Da
  • ChemSpider ID23242545

More details:

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

Carbonate de méthyle et de {1-(2-phényléthyl)-4-[phényl(propionyl)amino]-4-pipéridinyl}méthyle [French] [ACD/IUPAC Name]
Carbonic acid, methyl [4-[(1-oxopropyl)phenylamino]-1-(2-phenylethyl)-4-piperidinyl]methyl ester [ACD/Index Name]
methyl {1-(2-phenylethyl)-4-[phenyl(propanoyl)amino]piperidin-4-yl}methyl carbonate
Methyl {1-(2-phenylethyl)-4-[phenyl(propionyl)amino]-4-piperidinyl}methyl carbonate [ACD/IUPAC Name]
Methyl-{1-(2-phenylethyl)-4-[phenyl(propionyl)amino]-4-piperidinyl}methylcarbonat [German] [ACD/IUPAC Name]
Carbonic acid methyl ester 1-phenethyl-4-(phenyl-propionyl-amino)-piperidin-4-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL367667/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 534.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.8±27.3 °C
Index of Refraction: 1.565
Molar Refractivity: 121.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 11.10
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 80.51
ACD/KOC (pH 7.4): 554.29
Polar Surface Area: 59 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 371.8±3.0 cm3

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