ChemSpider 2D Image | 1-Benzoyl-N-{trans-4-[benzyl(4-methoxybenzoyl)amino]cyclohexyl}-4-piperidinecarboxamide | C34H39N3O4

1-Benzoyl-N-{trans-4-[benzyl(4-methoxybenzoyl)amino]cyclohexyl}-4-piperidinecarboxamide

  • Molecular FormulaC34H39N3O4
  • Average mass553.691 Da
  • Monoisotopic mass553.294067 Da
  • ChemSpider ID29220198

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Benzoyl-N-{trans-4-[benzyl(4-methoxybenzoyl)amino]cyclohexyl}-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Benzoyl-N-{trans-4-[benzyl(4-methoxybenzoyl)amino]cyclohexyl}-4-piperidinecarboxamide [ACD/IUPAC Name]
1-Benzoyl-N-{trans-4-[benzyl(4-méthoxybenzoyl)amino]cyclohexyl}-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-benzoyl-N-[trans-4-[(4-methoxybenzoyl)(phenylmethyl)amino]cyclohexyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 800.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.7±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 159.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.47
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 684.52
ACD/KOC (pH 5.5): 3725.37
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 684.52
ACD/KOC (pH 7.4): 3725.37
Polar Surface Area: 79 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 449.3±5.0 cm3

Click to predict properties on the Chemicalize site


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