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Search term: NJUABDJATGPSJB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(1-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-(4-morpholinyl)-1-propanone | C22H29FN4O2

3-(1-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-(4-morpholinyl)-1-propanone

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22154070

More details:

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

1-Propanone, 3-[1-[[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]-1-(4-morpholinyl)- [ACD/Index Name]
3-(1-{[1-(2-Fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
3-(1-{[1-(2-Fluorophényl)-1H-pyrazol-4-yl]méthyl}-4-pipéridinyl)-1-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
3-(1-{[1-(2-Fluorphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
3-(1-{[1-(2-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE
3-(1-{[1-(2-FLUOROPHENYL)PYRAZOL-4-YL]METHYL}PIPERIDIN-4-YL)-1-(MORPHOLIN-4-YL)PROPAN-1-ONE
4-[3-(1-{[1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)propanoyl]morpholine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.8±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.34
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 58.45
Polar Surface Area: 51 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 316.3±7.0 cm3

Click to predict properties on the Chemicalize site


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