ChemSpider 2D Image | N-{2-[(4-Fluorophenyl)amino]-2-oxoethyl}-1-(L-phenylalanyl)-4-piperidinecarboxamide | C23H27FN4O3

N-{2-[(4-Fluorophenyl)amino]-2-oxoethyl}-1-(L-phenylalanyl)-4-piperidinecarboxamide

  • Molecular FormulaC23H27FN4O3
  • Average mass426.484 Da
  • Monoisotopic mass426.206726 Da
  • ChemSpider ID22881624

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Piperidinecarboxamide, 1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-N-[2-[(4-fluorophenyl)amino]-2-oxoethyl]- [ACD/Index Name]
N-{2-[(4-Fluorophenyl)amino]-2-oxoethyl}-1-(L-phenylalanyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-{2-[(4-Fluorophényl)amino]-2-oxoéthyl}-1-(L-phénylalanyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-{2-[(4-Fluorphenyl)amino]-2-oxoethyl}-1-(L-phenylalanyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-[(2S)-2-amino-3-phenylpropanoyl]-N-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
1013754-00-1 [RN]
N-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1-(L-phenylalanyl)piperidine-4-carboxamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 740.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.1±3.0 kJ/mol
    Flash Point: 401.9±32.9 °C
    Index of Refraction: 1.610
    Molar Refractivity: 115.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 1.89
    ACD/KOC (pH 7.4): 39.06
    Polar Surface Area: 105 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 331.8±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement