ChemSpider 2D Image | (3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(1-methyl-2-pyrrolidinyl)ethyl]-3,5-piperidinedicarboxamide | C32H44N4O4

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

  • Molecular FormulaC32H44N4O4
  • Average mass548.716 Da
  • Monoisotopic mass548.336243 Da
  • ChemSpider ID29421651

  • 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)-N'-[2-(1-methyl-2-pyrrolidinyl)ethyl]-3,5-piperidindicarboxamid [German] [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-inden-5-yl)-1-(3,4-dimethoxybenzyl)-N'-[2-(1-methyl-2-pyrrolidinyl)ethyl]-3,5-piperidinedicarboxamide [ACD/IUPAC Name]
(3R,5S)-N-(2,3-Dihydro-1H-indén-5-yl)-1-(3,4-diméthoxybenzyl)-N'-[2-(1-méthyl-2-pyrrolidinyl)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-(1-methyl-2-pyrrolidinyl)ethyl]-, (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: 744.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.1±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.88
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.64
Polar Surface Area: 83 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 463.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement