ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(1H-indol-3-yl)ethyl]-3,5-piperidinedicarboxamide | C35H40N4O4

(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(1H-indol-3-yl)ethyl]-3,5-piperidinedicarboxamide

  • Molecular FormulaC35H40N4O4
  • Average mass580.716 Da
  • Monoisotopic mass580.304932 Da
  • ChemSpider ID29423153

  • 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)-1-(3,4-dimethoxybenzyl)-N'-[2-(1H-indol-3-yl)ethyl]-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(1H-indol-3-yl)ethyl]-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-1-(3,4-diméthoxybenzyl)-N'-[2-(1H-indol-3-yl)éthyl]-3,5-pipéridinedicarboxamide [French] [ACD/IUPAC Name]
3,5-Piperidinedicarboxamide, N3-(2,3-dihydro-1H-inden-5-yl)-1-[(3,4-dimethoxyphenyl)methyl]-N5-[2-(1H-indol-3-yl)ethyl]-, (3R,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 843.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 463.7±34.3 °C
Index of Refraction: 1.655
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 89.47
ACD/KOC (pH 5.5): 407.59
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1094.65
ACD/KOC (pH 7.4): 4986.68
Polar Surface Area: 96 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 461.2±3.0 cm3

Click to predict properties on the Chemicalize site


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