ChemSpider 2D Image | 1-Acetyl-N-{[(1S,4S,6S)-6-isopropyl-4-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}-4-piperidinecarboxamide | C29H43N3O4

1-Acetyl-N-{[(1S,4S,6S)-6-isopropyl-4-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}-4-piperidinecarboxamide

  • Molecular FormulaC29H43N3O4
  • Average mass497.669 Da
  • Monoisotopic mass497.325348 Da
  • ChemSpider ID22937078

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Acetyl-N-{[(1S,4S,6S)-6-isopropyl-4-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Acetyl-N-{[(1S,4S,6S)-6-isopropyl-4-{2-[(4-methoxybenzyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-Acétyl-N-{[(1S,4S,6S)-6-isopropyl-4-{2-[(4-méthoxybenzyl)amino]-2-oxoéthyl}-3-méthyl-2-cyclohexén-1-yl]méthyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-acetyl-N-[[(1S,4S,6S)-4-[2-[[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.28
ACD/KOC (pH 5.5): 2491.79
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 390.28
ACD/KOC (pH 7.4): 2491.79
Polar Surface Area: 88 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 459.4±3.0 cm3

Click to predict properties on the Chemicalize site


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