ChemSpider 2D Image | Ethyl 1'-{[1-ethyl-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetyl}-1,4'-bipiperidine-4-carboxylate | C28H39N3O5

Ethyl 1'-{[1-ethyl-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetyl}-1,4'-bipiperidine-4-carboxylate

  • Molecular FormulaC28H39N3O5
  • Average mass497.626 Da
  • Monoisotopic mass497.288971 Da
  • ChemSpider ID22230739

More details:

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

[1,4'-Bipiperidine]-4-carboxylic acid, 1'-[2-[1-ethyl-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetyl]-, ethyl ester [ACD/Index Name]
1'-{2-[1-Éthyl-3-(2-méthylphényl)-2,5-dioxo-3-pyrrolidinyl]acétyl}-1,4'-bipipéridine-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1'-{[1-ethyl-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetyl}-1,4'-bipiperidine-4-carboxylate [ACD/IUPAC Name]
Ethyl-1'-{[1-ethyl-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetyl}-1,4'-bipiperidin-4-carboxylat [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: 660.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.1±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.45
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 25.54
ACD/KOC (pH 7.4): 227.06
Polar Surface Area: 87 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

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