ChemSpider 2D Image | 3-{(3R)-3-Methyl-4-[(4-methyladamantan-1-yl)carbonyl]-1-piperazinyl}-2-pyridinecarbonitrile | C23H30N4O

3-{(3R)-3-Methyl-4-[(4-methyladamantan-1-yl)carbonyl]-1-piperazinyl}-2-pyridinecarbonitrile

  • Molecular FormulaC23H30N4O
  • Average mass378.510 Da
  • Monoisotopic mass378.241974 Da
  • ChemSpider ID34981019

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

2-Pyridinecarbonitrile, 3-[(3R)-3-methyl-4-[(4-methyltricyclo[3.3.1.13,7]dec-1-yl)carbonyl]-1-piperazinyl]- [ACD/Index Name]
3-{(3R)-3-Methyl-4-[(4-methyladamantan-1-yl)carbonyl]-1-piperazinyl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
3-{(3R)-3-Methyl-4-[(4-methyladamantan-1-yl)carbonyl]-1-piperazinyl}-2-pyridinecarbonitrile [ACD/IUPAC Name]
3-{(3R)-3-Méthyl-4-[(4-méthyladamantan-1-yl)carbonyl]-1-pipérazinyl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
1443748-47-7 [RN]
3-[(3R)-3-methyl-4-[(4-methyladamantan-1-yl)carbonyl]piperazin-1-yl]pyridine-2-carbonitrile
VU0469650

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 107.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.64
ACD/KOC (pH 5.5): 1389.76
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.65
ACD/KOC (pH 7.4): 1389.86
Polar Surface Area: 60 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

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