ChemSpider 2D Image | N-[(2R)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide | C28H39N3O6S

N-[(2R)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide

  • Molecular FormulaC28H39N3O6S
  • Average mass545.691 Da
  • Monoisotopic mass545.255981 Da
  • ChemSpider ID21361031

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N-[(1R)-1-[[[2-(3,4-dimethoxyphenyl)ethyl]amino]carbonyl]-2-methylpropyl]-1-[(4-methylphenyl)sulfonyl]- [ACD/Index Name]
N-[(2R)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-1-[(4-methylphenyl)sulfonyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxo-2-butanyl]-1-[(4-methylphenyl)sulfonyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[(2R)-1-{[2-(3,4-Diméthoxyphényl)éthyl]amino}-3-méthyl-1-oxo-2-butanyl]-1-[(4-méthylphényl)sulfonyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1212410-69-9 [RN]
N-[(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
N-[(2R)-1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.559
    Molar Refractivity: 147.1±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.84
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 236.85
    ACD/KOC (pH 5.5): 1742.82
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 236.85
    ACD/KOC (pH 7.4): 1742.82
    Polar Surface Area: 122 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 455.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement