ChemSpider 2D Image | N-(1,3-Benzodioxol-5-ylmethyl)-1-[1-(1-naphthyl)ethyl]-4-piperidinecarboxamide | C26H28N2O3

N-(1,3-Benzodioxol-5-ylmethyl)-1-[1-(1-naphthyl)ethyl]-4-piperidinecarboxamide

  • Molecular FormulaC26H28N2O3
  • Average mass416.512 Da
  • Monoisotopic mass416.209991 Da
  • ChemSpider ID25039144
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-Piperidinecarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(1-naphthalenyl)ethyl]- [ACD/Index Name]
N-(1,3-Benzodioxol-5-Ylmethyl)-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
N-(1,3-Benzodioxol-5-ylmethyl)-1-[1-(1-naphthyl)ethyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylmethyl)-1-[1-(1-naphthyl)ethyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-(1,3-Benzodioxol-5-ylméthyl)-1-[1-(1-naphtyl)éthyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
GRL-0667
GRM

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 629.1±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 334.3±31.2 °C
Index of Refraction: 1.637
Molar Refractivity: 121.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 2.95
ACD/KOC (pH 5.5): 14.84
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 149.26
ACD/KOC (pH 7.4): 750.85
Polar Surface Area: 51 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

Click to predict properties on the Chemicalize site






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