ChemSpider 2D Image | (3S,5R)-5-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(3-methylbutyl)-3-piperidinecarboxamide | C23H35ClN4O2

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

  • Molecular FormulaC23H35ClN4O2
  • Average mass435.003 Da
  • Monoisotopic mass434.244843 Da
  • ChemSpider ID28651217

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.5±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 120.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.68
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 7.55
ACD/KOC (pH 7.4): 68.46
Polar Surface Area: 65 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 382.2±3.0 cm3

Click to predict properties on the Chemicalize site


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