ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-3-piperidinecarboxamide | C31H42N4O4

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-3-piperidinecarboxamide

  • Molecular FormulaC31H42N4O4
  • Average mass534.690 Da
  • Monoisotopic mass534.320618 Da
  • ChemSpider ID29656825

  • 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)-1-(3,4-dimethoxybenzyl)-5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-5-{[3-(dimethylamino)-1-pyrrolidinyl]carbonyl}-3-piperidinecarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-1-(3,4-diméthoxybenzyl)-5-{[3-(diméthylamino)-1-pyrrolidinyl]carbonyl}-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-(2,3-dihydro-1H-inden-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-5-[[3-(dimethylamino)-1-pyrrolidinyl]carbonyl]-, (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: 716.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.2±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 7.30
ACD/KOC (pH 7.4): 77.31
Polar Surface Area: 74 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 434.5±5.0 cm3

Click to predict properties on the Chemicalize site


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