ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[3-(dimethylamino)propyl]-1-(2-naphthylmethyl)-3,5-piperidinedicarboxamide | C32H40N4O2

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[3-(dimethylamino)propyl]-1-(2-naphthylmethyl)-3,5-piperidinedicarboxamide

  • Molecular FormulaC32H40N4O2
  • Average mass512.686 Da
  • Monoisotopic mass512.315125 Da
  • ChemSpider ID29657041

  • defined stereocentres - 2 of 2 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'-[3-(dimethylamino)propyl]-1-(2-naphthylmethyl)-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-N'-[3-(dimethylamino)propyl]-1-(2-naphthylmethyl)-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-N'-[3-(diméthylamino)propyl]-1-(2-naphtylméthyl)-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
3,5-Piperidinedicarboxamide, N3-(2,3-dihydro-1H-inden-5-yl)-N5-[3-(dimethylamino)propyl]-1-(2-naphthalenylmethyl)-, (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: 748.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.7±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 14.23
ACD/KOC (pH 7.4): 68.94
Polar Surface Area: 65 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 431.0±3.0 cm3

Click to predict properties on the Chemicalize site


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