ChemSpider 2D Image | Methyl 5-(4-{3-[(3-chlorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoate | C21H29ClN2O4

Methyl 5-(4-{3-[(3-chlorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoate

  • Molecular FormulaC21H29ClN2O4
  • Average mass408.919 Da
  • Monoisotopic mass408.181580 Da
  • ChemSpider ID22191409

More details:

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

1-Piperidinepentanoic acid, 4-[3-[[(3-chlorophenyl)methyl]amino]-3-oxopropyl]-δ-oxo-, methyl ester [ACD/Index Name]
5-(4-{3-[(3-Chlorobenzyl)amino]-3-oxopropyl}-1-pipéridinyl)-5-oxopentanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(4-{3-[(3-chlorobenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoate [ACD/IUPAC Name]
Methyl-5-(4-{3-[(3-chlorbenzyl)amino]-3-oxopropyl}-1-piperidinyl)-5-oxopentanoat [German] [ACD/IUPAC Name]
METHYL 5-[4-(2-{[(3-CHLOROPHENYL)METHYL]CARBAMOYL}ETHYL)PIPERIDIN-1-YL]-5-OXOPENTANOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 334.1±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.69
ACD/KOC (pH 5.5): 862.75
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.69
ACD/KOC (pH 7.4): 862.76
Polar Surface Area: 76 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 347.4±3.0 cm3

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