ChemSpider 2D Image | 3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]-4-piperidyl]-N-[2-(1-piperidyl)ethyl]propanamide | C22H36N6O

3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]-4-piperidyl]-N-[2-(1-piperidyl)ethyl]propanamide

  • Molecular FormulaC22H36N6O
  • Average mass400.561 Da
  • Monoisotopic mass400.295074 Da
  • ChemSpider ID29096634

More details:

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

3-{1-[6-(Cyclopropylamino)-4-pyrimidinyl]-4-piperidinyl}-N-[2-(1-piperidinyl)ethyl]propanamid [German] [ACD/IUPAC Name]
3-{1-[6-(Cyclopropylamino)-4-pyrimidinyl]-4-piperidinyl}-N-[2-(1-piperidinyl)ethyl]propanamide [ACD/IUPAC Name]
3-{1-[6-(Cyclopropylamino)-4-pyrimidinyl]-4-pipéridinyl}-N-[2-(1-pipéridinyl)éthyl]propanamide [French] [ACD/IUPAC Name]
3-{1-[6-(CYCLOPROPYLAMINO)PYRIMIDIN-4-YL]PIPERIDIN-4-YL}-N-[2-(PIPERIDIN-1-YL)ETHYL]PROPANAMIDE
4-Piperidinepropanamide, 1-[6-(cyclopropylamino)-4-pyrimidinyl]-N-[2-(1-piperidinyl)ethyl]- [ACD/Index 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: 660.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.5±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 19.73
Polar Surface Area: 73 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


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