ChemSpider 2D Image | (3R,5S)-N-[2-(4-Morpholinyl)ethyl]-1-(4-pyridinylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide | C26H33F3N4O3

(3R,5S)-N-[2-(4-Morpholinyl)ethyl]-1-(4-pyridinylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID62702742

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-N-[2-(4-Morpholinyl)ethyl]-1-(4-pyridinylmethyl)-5-{[3-(trifluormethyl)phenoxy]methyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-[2-(4-Morpholinyl)ethyl]-1-(4-pyridinylmethyl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-N-[2-(4-Morpholinyl)éthyl]-1-(4-pyridinylméthyl)-5-{[3-(trifluorométhyl)phénoxy]méthyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[2-(4-morpholinyl)ethyl]-1-(4-pyridinylmethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-, (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: 647.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.5±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 128.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.05
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 66.73
ACD/KOC (pH 7.4): 663.52
Polar Surface Area: 67 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 413.2±3.0 cm3

Click to predict properties on the Chemicalize site


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