ChemSpider 2D Image | N-[(1R,3S)-3-{[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]methyl}-4-{[(2-methyl-4-pyridinyl)carbamoyl]amino}cyclohexyl]-N-methylacetamide | C29H40FN5O2

N-[(1R,3S)-3-{[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]methyl}-4-{[(2-methyl-4-pyridinyl)carbamoyl]amino}cyclohexyl]-N-methylacetamide

  • Molecular FormulaC29H40FN5O2
  • Average mass509.659 Da
  • Monoisotopic mass509.316589 Da
  • ChemSpider ID9493148

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Acetamide, N-[(1R,3S)-3-[[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]methyl]-4-[[[(2-methyl-4-pyridinyl)amino]carbonyl]amino]cyclohexyl]-N-methyl- [ACD/Index Name]
N-[(1R,3S)-3-{[(3S)-3-(4-Fluorbenzyl)-1-piperidinyl]methyl}-4-{[(2-methyl-4-pyridinyl)carbamoyl]amino}cyclohexyl]-N-methylacetamid [German] [ACD/IUPAC Name]
N-[(1R,3S)-3-{[(3S)-3-(4-Fluorobenzyl)-1-piperidinyl]methyl}-4-{[(2-methyl-4-pyridinyl)carbamoyl]amino}cyclohexyl]-N-methylacetamide [ACD/IUPAC Name]
N-[(1R,3S)-3-{[(3S)-3-(4-Fluorobenzyl)-1-pipéridinyl]méthyl}-4-{[(2-méthyl-4-pyridinyl)carbamoyl]amino}cyclohexyl]-N-méthylacétamide [French] [ACD/IUPAC 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: 638.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 143.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 6.34
Polar Surface Area: 78 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 425.8±5.0 cm3

Click to predict properties on the Chemicalize site


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