ChemSpider 2D Image | (3R)-N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-3-[(R)-(3-ethoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide | C27H45N3O3

(3R)-N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-3-[(R)-(3-ethoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide

  • Molecular FormulaC27H45N3O3
  • Average mass459.664 Da
  • Monoisotopic mass459.346100 Da
  • ChemSpider ID24720028

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R)-N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-3-[(R)-(3-ethoxypropoxy)(phenyl)methyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-3-[(R)-(3-ethoxypropoxy)(phenyl)methyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-N-[(2S)-1-Amino-3-cyclohexyl-2-propanyl]-3-[(R)-(3-éthoxypropoxy)(phényl)méthyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Piperidinecarboxamide, N-[(1S)-2-amino-1-(cyclohexylmethyl)ethyl]-3-[(R)-(3-ethoxypropoxy)phenylmethyl]-, (3R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521726/
piperidine-1-carboxamide, 7b

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.9±28.7 °C
Index of Refraction: 1.532
Molar Refractivity: 133.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 6.99
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 16.22
ACD/KOC (pH 7.4): 65.67
Polar Surface Area: 77 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 431.4±3.0 cm3

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