ChemSpider 2D Image | Ethyl 1'-[(1-allyl-2-oxo-2,6,7,8-tetrahydro-1H-cyclopenta[g]quinolin-3-yl)methyl]-1,4'-bipiperidine-3-carboxylate | C29H39N3O3

Ethyl 1'-[(1-allyl-2-oxo-2,6,7,8-tetrahydro-1H-cyclopenta[g]quinolin-3-yl)methyl]-1,4'-bipiperidine-3-carboxylate

  • Molecular FormulaC29H39N3O3
  • Average mass477.638 Da
  • Monoisotopic mass477.299133 Da
  • ChemSpider ID23072457

More details:

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

[1,4'-Bipiperidine]-3-carboxylic acid, 1'-[[2,6,7,8-tetrahydro-2-oxo-1-(2-propen-1-yl)-1H-cyclopenta[g]quinolin-3-yl]methyl]-, ethyl ester [ACD/Index Name]
1'-[(1-Allyl-2-oxo-2,6,7,8-tétrahydro-1H-cyclopenta[g]quinoléin-3-yl)méthyl]-1,4'-bipipéridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 1'-[(1-allyl-2-oxo-2,6,7,8-tetrahydro-1H-cyclopenta[g]quinolin-3-yl)methyl]-1,4'-bipiperidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-1'-[(1-allyl-2-oxo-2,6,7,8-tetrahydro-1H-cyclopenta[g]chinolin-3-yl)methyl]-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: 1.2±0.1 g/cm3
Boiling Point: 592.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.9±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 5.51
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 160.38
ACD/KOC (pH 7.4): 582.10
Polar Surface Area: 53 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 409.8±3.0 cm3

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