ChemSpider 2D Image | (3R)-3-[(1S)-1-(3-Chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide | C28H46ClN3O3

(3R)-3-[(1S)-1-(3-Chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide

  • Molecular FormulaC28H46ClN3O3
  • Average mass508.136 Da
  • Monoisotopic mass507.322784 Da
  • ChemSpider ID24706049
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3R)-3-[(1S)-1-(3-Chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-3-[(1S)-1-(3-Chlorophényl)-1-hydroxy-5-méthoxypentyl]-N-[(2S)-1-cyclohexyl-3-(méthylamino)-2-propanyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3r)-3-[(1s)-1-(3-Chlorophenyl)-1-Hydroxy-5-Methoxypentyl]-N-{(1s)-2-Cyclohexyl-1-[(Methylamino)methyl]ethyl}piperidine-1-Carboxamide
(3R)-3-[(1S)-1-(3-Chlorphenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Piperidinecarboxamide, 3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl]-, (3R)- [ACD/Index Name]
72X
piperidine-1-carboxamide, 21l

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 142.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 12.03
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 22.10
ACD/KOC (pH 7.4): 70.70
Polar Surface Area: 74 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 456.3±3.0 cm3

Click to predict properties on the Chemicalize site






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