ChemSpider 2D Image | (3R,5S)-1-(3,4-Dimethoxybenzyl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide | C28H40N4O5

(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID29422774

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-N-[2-(4-morpholinyl)ethyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-1-(3,4-Dimethoxybenzyl)-5-{[(6-methyl-3-pyridinyl)oxy]methyl}-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-1-(3,4-Diméthoxybenzyl)-5-{[(6-méthyl-3-pyridinyl)oxy]méthyl}-N-[2-(4-morpholinyl)éthyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 1-[(3,4-dimethoxyphenyl)methyl]-5-[[(6-methyl-3-pyridinyl)oxy]methyl]-N-[2-(4-morpholinyl)ethyl]-, (3R,5S)- [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: 686.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.2±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 142.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 5.22
ACD/KOC (pH 7.4): 88.23
Polar Surface Area: 85 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 443.9±3.0 cm3

Click to predict properties on the Chemicalize site


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