ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-phenylethyl)-3,5-piperidinedicarboxamide | C31H42N4O2

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-phenylethyl)-3,5-piperidinedicarboxamide

  • Molecular FormulaC31H42N4O2
  • Average mass502.691 Da
  • Monoisotopic mass502.330780 Da
  • ChemSpider ID29656874

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-phenylethyl)-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-phenylethyl)-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-N'-[(1-éthyl-2-pyrrolidinyl)méthyl]-1-(2-phényléthyl)-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
3,5-Piperidinedicarboxamide, N3-(2,3-dihydro-1H-inden-5-yl)-N5-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-phenylethyl)-, (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: 718.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.6±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 148.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.98
ACD/KOC (pH 7.4): 10.72
Polar Surface Area: 65 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 436.9±3.0 cm3

Click to predict properties on the Chemicalize site


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