ChemSpider 2D Image | Ethyl 1'-{3-[2-(4-methylbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1,4'-bipiperidine-3-carboxylate | C28H41N3O4

Ethyl 1'-{3-[2-(4-methylbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1,4'-bipiperidine-3-carboxylate

  • Molecular FormulaC28H41N3O4
  • Average mass483.643 Da
  • Monoisotopic mass483.309692 Da
  • ChemSpider ID22124866

More details:

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

[1,4'-Bipiperidine]-3-carboxylic acid, 1'-[3-[2-[(4-methylphenyl)methyl]-5-oxo-2-pyrrolidinyl]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
1'-{3-[2-(4-Méthylbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1,4'-bipipéridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1'-{3-[2-(4-methylbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1,4'-bipiperidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-1'-{3-[2-(4-methylbenzyl)-5-oxo-2-pyrrolidinyl]propanoyl}-1,4'-bipiperidin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 134.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.58
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 48.00
ACD/KOC (pH 7.4): 379.90
Polar Surface Area: 79 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 420.8±3.0 cm3

Click to predict properties on the Chemicalize site


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