ChemSpider 2D Image | 3-(1,4'-Bipiperidin-1'-ylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide | C36H42N4O

3-(1,4'-Bipiperidin-1'-ylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide

  • Molecular FormulaC36H42N4O
  • Average mass546.745 Da
  • Monoisotopic mass546.335876 Da
  • ChemSpider ID9975400

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(1,4'-Bipiperidin-1'-ylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-(1,4'-Bipipéridin-1'-ylméthyl)-2-phényl-N-[(1S)-1-phénylpropyl]-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-(1,4'-Bipiperidin-1'-ylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 3-([1,4'-bipiperidin]-1'-ylmethyl)-2-phenyl-N-[(1S)-1-phenylpropyl]- [ACD/Index Name]
3-[1,4']Bipiperidinyl-1'-ylmethyl-2-phenyl-quinoline-4-carboxylic acid (1-phenyl-propyl)-amide
CHEMBL47544

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.87
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 23.51
ACD/KOC (pH 5.5): 42.52
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 414.77
ACD/KOC (pH 7.4): 750.11
Polar Surface Area: 48 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 474.4±3.0 cm3

Click to predict properties on the Chemicalize site


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