ChemSpider 2D Image | Ethyl 4-{[4-(4-bromophenyl)-4-oxobutanoyl]amino}-1-piperidinecarboxylate | C18H23BrN2O4

Ethyl 4-{[4-(4-bromophenyl)-4-oxobutanoyl]amino}-1-piperidinecarboxylate

  • Molecular FormulaC18H23BrN2O4
  • Average mass411.290 Da
  • Monoisotopic mass410.084106 Da
  • ChemSpider ID21774474

More details:

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

1-Piperidinecarboxylic acid, 4-[[4-(4-bromophenyl)-1,4-dioxobutyl]amino]-, ethyl ester [ACD/Index Name]
4-{[4-(4-Bromophényl)-4-oxobutanoyl]amino}-1-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[4-(4-bromophenyl)-4-oxobutanoyl]amino}-1-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[4-(4-bromphenyl)-4-oxobutanoyl]amino}-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±30.1 °C
Index of Refraction: 1.582
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.48
ACD/KOC (pH 5.5): 534.92
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.48
ACD/KOC (pH 7.4): 534.92
Polar Surface Area: 76 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 292.4±5.0 cm3

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