ChemSpider 2D Image | N,N-Dimethyl-1-(trans-4-{[5-(tetrahydro-2H-pyran-4-yl)octahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}cyclohexyl)-4-piperidinecarboxamide | C25H46N6O2

N,N-Dimethyl-1-(trans-4-{[5-(tetrahydro-2H-pyran-4-yl)octahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}cyclohexyl)-4-piperidinecarboxamide

  • Molecular FormulaC25H46N6O2
  • Average mass462.672 Da
  • Monoisotopic mass462.368225 Da
  • ChemSpider ID129182287

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

4-Piperidinecarboxamide, N,N-dimethyl-1-[trans-4-[[octahydro-5-(tetrahydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]- [ACD/Index Name]
N,N-Dimethyl-1-(trans-4-{[5-(tetrahydro-2H-pyran-4-yl)octahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}cyclohexyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N,N-Dimethyl-1-(trans-4-{[5-(tetrahydro-2H-pyran-4-yl)octahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}cyclohexyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N,N-Diméthyl-1-(trans-4-{[5-(tétrahydro-2H-pyran-4-yl)octahydro-1H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}cyclohexyl)-4-pipéridinecarboxamide [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: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.9±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 131.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 395.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement