ChemSpider 2D Image | N-{3-[4-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-1-piperidinyl]phenyl}nicotinamide | C28H36N4O

N-{3-[4-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-1-piperidinyl]phenyl}nicotinamide

  • Molecular FormulaC28H36N4O
  • Average mass444.612 Da
  • Monoisotopic mass444.288910 Da
  • ChemSpider ID22860827

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Pyridinecarboxamide, N-[3-[4-[[2-[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl]amino]-1-piperidinyl]phenyl]- [ACD/Index Name]
N-{3-[4-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-1-piperidinyl]phenyl}nicotinamid [German] [ACD/IUPAC Name]
N-{3-[4-({2-[(1R,5S)-6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl]ethyl}amino)-1-piperidinyl]phenyl}nicotinamide [ACD/IUPAC Name]
N-{3-[4-({2-[(1R,5S)-6,6-Diméthylbicyclo[3.1.1]hept-2-én-2-yl]éthyl}amino)-1-pipéridinyl]phényl}nicotinamide [French] [ACD/IUPAC 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: 559.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.3±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 3.53
ACD/KOC (pH 5.5): 11.40
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 14.39
ACD/KOC (pH 7.4): 46.45
Polar Surface Area: 57 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 376.5±5.0 cm3

Click to predict properties on the Chemicalize site


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