ChemSpider 2D Image | Ethyl 1-{N-[(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)carbonyl]-L-valyl}-4-piperidinecarboxylate | C22H30N4O5

Ethyl 1-{N-[(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)carbonyl]-L-valyl}-4-piperidinecarboxylate

  • Molecular FormulaC22H30N4O5
  • Average mass430.497 Da
  • Monoisotopic mass430.221619 Da
  • ChemSpider ID22882927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{N-[(3-Oxo-3,4-dihydro-1(2H)-quinoxalinyl)carbonyl]-L-valyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(2S)-2-[[(3,4-dihydro-3-oxo-1(2H)-quinoxalinyl)carbonyl]amino]-3-methyl-1-oxobutyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{N-[(3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)carbonyl]-L-valyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{N-[(3-oxo-3,4-dihydro-1(2H)-chinoxalinyl)carbonyl]-L-valyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-ethyl 1-(3-methyl-2-(3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamido)butanoyl)piperidine-4-carboxylate
1014410-78-6 [RN]
ethyl 1-{N-[(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)carbonyl]-L-valyl}piperidine-4-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 683.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.3±3.0 kJ/mol
    Flash Point: 367.3±31.5 °C
    Index of Refraction: 1.558
    Molar Refractivity: 112.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.49
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 14.88
    ACD/KOC (pH 5.5): 240.42
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 14.88
    ACD/KOC (pH 7.4): 240.39
    Polar Surface Area: 108 Å2
    Polarizability: 44.5±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 348.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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