ChemSpider 2D Image | (3S,5R)-5-{[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl}-N-(3-methylbutyl)-3-piperidinecarboxamide | C24H37ClN4O2

(3S,5R)-5-{[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl}-N-(3-methylbutyl)-3-piperidinecarboxamide

  • Molecular FormulaC24H37ClN4O2
  • Average mass449.029 Da
  • Monoisotopic mass448.260498 Da
  • ChemSpider ID28650023

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5R)-5-{[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl}-N-(3-methylbutyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S,5R)-5-{[4-(2-Chlorophényl)-2,2-diméthyl-5-oxo-1-pipérazinyl]méthyl}-N-(3-méthylbutyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3s,5r)-5-{[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]methyl}-N-(3-Methylbutyl)piperidine-3-Carboxamide
(3S,5R)-5-{[4-(2-Chlorphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl}-N-(3-methylbutyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 5-[[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]methyl]-N-(3-methylbutyl)-, (3S,5R)- [ACD/Index Name]
VYD

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.6±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 124.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.91
ACD/KOC (pH 7.4): 33.60
Polar Surface Area: 65 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 402.2±3.0 cm3

Click to predict properties on the Chemicalize site


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