ChemSpider 2D Image | (3S,5R)-5-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(2,6-dimethyl-4-heptanyl)-3-piperidinecarboxamide | C27H43ClN4O2

(3S,5R)-5-[4-(2-Chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(2,6-dimethyl-4-heptanyl)-3-piperidinecarboxamide

  • Molecular FormulaC27H43ClN4O2
  • Average mass491.109 Da
  • Monoisotopic mass490.307465 Da
  • ChemSpider ID28652435
  • 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-(2,6-dimethyl-4-heptanyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S,5R)-5-[4-(2-Chlorophényl)-2,2-diméthyl-5-oxo-1-pipérazinyl]-N-(2,6-diméthyl-4-heptanyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3s,5r)-5-[4-(2-Chlorophenyl)-2,2-Dimethyl-5-Oxopiperazin-1-Yl]-N-(2,6-Dimethylheptan-4-Yl)piperidine-3-Carboxamide
(3S,5R)-5-[4-(2-Chlorphenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-(2,6-dimethyl-4-heptanyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[3-methyl-1-(2-methylpropyl)butyl]-, (3S,5R)- [ACD/Index Name]
VYF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 666.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 356.7±31.5 °C
Index of Refraction: 1.529
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 4.19
ACD/KOC (pH 5.5): 15.70
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 172.42
ACD/KOC (pH 7.4): 646.61
Polar Surface Area: 65 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 449.0±3.0 cm3

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