ChemSpider 2D Image | (2S)-N-(1-Benzyl-4-piperidinyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide | C31H37N5O3

(2S)-N-(1-Benzyl-4-piperidinyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID17467649

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-N-(1-Benzyl-4-piperidinyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamid [German] [ACD/IUPAC Name]
(2S)-N-(1-Benzyl-4-piperidinyl)-3-methyl-2-[(11bS)-11b-methyl-1,3-dioxo-5,6,11,11b-tetrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide [ACD/IUPAC Name]
(2S)-N-(1-Benzyl-4-pipéridinyl)-3-méthyl-2-[(11bS)-11b-méthyl-1,3-dioxo-5,6,11,11b-tétrahydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H)-yl]butanamide [French] [ACD/IUPAC Name]
1H-Imidazo[1',5':1,2]pyrido[3,4-b]indole-2(3H)-acetamide, 5,6,11,11b-tetrahydro-11b-methyl-α-(1-methylethyl)-1,3-dioxo-N-[1-(phenylmethyl)-4-piperidinyl]-, (αS,11bS)- [ACD/Index Name]
(S)-N-(1-benzylpiperidin-4-yl)-3-methyl-2-((S)-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)butanamide
956966-65-7 [RN]
AB00864367-06
CHEMBL1512623
HMS2267E21
MCULE-2564326617
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.676
    Molar Refractivity: 151.1±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 1.23
    ACD/BCF (pH 5.5): 1.43
    ACD/KOC (pH 5.5): 10.10
    ACD/LogD (pH 7.4): 2.92
    ACD/BCF (pH 7.4): 71.47
    ACD/KOC (pH 7.4): 505.84
    Polar Surface Area: 89 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 66.7±5.0 dyne/cm
    Molar Volume: 401.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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