ChemSpider 2D Image | (3R)-N-[(2S)-1-Cyclohexyl-3-(methylamino)-2-propanyl]-3-[(R)-(3-methoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide | C27H45N3O3

(3R)-N-[(2S)-1-Cyclohexyl-3-(methylamino)-2-propanyl]-3-[(R)-(3-methoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID26348524

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-N-[(2S)-1-Cyclohexyl-3-(methylamino)-2-propanyl]-3-[(R)-(3-methoxypropoxy)(phenyl)methyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-[(2S)-1-Cyclohexyl-3-(methylamino)-2-propanyl]-3-[(R)-(3-methoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-N-[(2S)-1-Cyclohexyl-3-(méthylamino)-2-propanyl]-3-[(R)-(3-méthoxypropoxy)(phényl)méthyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Piperidinecarboxamide, N-[(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl]-3-[(R)-(3-methoxypropoxy)phenylmethyl]-, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 621.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 329.9±28.7 °C
Index of Refraction: 1.525
Molar Refractivity: 133.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 9.95
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 16.94
ACD/KOC (pH 7.4): 58.44
Polar Surface Area: 63 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 436.6±3.0 cm3

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