ChemSpider 2D Image | (3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide | C31H43N3O5

(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide

  • Molecular FormulaC31H43N3O5
  • Average mass537.690 Da
  • Monoisotopic mass537.320251 Da
  • ChemSpider ID29655881

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-1-(3,4-dimethoxybenzyl)-N-[2-(4-morpholinyl)ethyl]-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-5-[(2,3-Dihydro-1H-indén-5-yloxy)méthyl]-1-(3,4-diméthoxybenzyl)-N-[2-(4-morpholinyl)éthyl]-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, 5-[[(2,3-dihydro-1H-inden-5-yl)oxy]methyl]-1-[(3,4-dimethoxyphenyl)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: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 151.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 52.90
ACD/KOC (pH 7.4): 441.20
Polar Surface Area: 73 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

Click to predict properties on the Chemicalize site


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