ChemSpider 2D Image | N-[(2S)-1-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide | C21H31N5O2

N-[(2S)-1-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID30673241

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinecarboxamide, N-[(1S)-2-[[2-(1-cyclohexen-1-yl)ethyl]amino]-1-methyl-2-oxoethyl]-4-(2-pyridinyl)- [ACD/Index Name]
N-[(2S)-1-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[2-(1-Cyclohexen-1-yl)ethyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-piperazinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[2-(1-Cyclohexén-1-yl)éthyl]amino}-1-oxo-2-propanyl]-4-(2-pyridinyl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2S)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-2-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYLAMINO]PROPANAMIDE
(2S)-N-[2-(CYCLOHEX-1-EN-1-YL)ETHYL]-2-{[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]AMINO}PROPANAMIDE
1314017-87-2 [RN]
N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-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: 682.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.1±3.0 kJ/mol
    Flash Point: 366.5±31.5 °C
    Index of Refraction: 1.566
    Molar Refractivity: 108.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.22
    ACD/LogD (pH 5.5): -0.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.91
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 3.32
    ACD/KOC (pH 7.4): 42.89
    Polar Surface Area: 78 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 332.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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