ChemSpider 2D Image | Ethyl 1-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}-3-piperidinecarboxylate | C16H27N3O4

Ethyl 1-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}-3-piperidinecarboxylate

  • Molecular FormulaC16H27N3O4
  • Average mass325.403 Da
  • Monoisotopic mass325.200165 Da
  • ChemSpider ID26228061

More details:

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

1-{2-Oxo-2-[(2-oxo-3-azépanyl)amino]éthyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[(hexahydro-2-oxo-1H-azepin-3-yl)amino]-2-oxoethyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.6±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.48
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.33
ACD/KOC (pH 7.4): 41.96
Polar Surface Area: 88 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 274.7±5.0 cm3

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