ChemSpider 2D Image | Methyl 1-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-1-propen-1-yl}-4-piperidinecarboxylate | C17H18FN3O3

Methyl 1-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-1-propen-1-yl}-4-piperidinecarboxylate

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID22882664
  • Double-bond stereo - Double-bond stereo


More details:






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

1-{(1E)-2-Cyano-3-[(4-fluorophényl)amino]-3-oxo-1-propén-1-yl}-4-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-1-propen-1-yl]-, methyl ester [ACD/Index Name]
Methyl 1-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxo-1-propen-1-yl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{(1E)-2-cyan-3-[(4-fluorphenyl)amino]-3-oxo-1-propen-1-yl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
(E)-methyl 1-(2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)piperidine-4-carboxylate
1-[2-Cyano-2-(4-fluoro-phenylcarbamoyl)-vinyl]-piperidine-4-carboxylic acid methyl ester
929867-11-8 [RN]
C17H18FN3O3
methyl 1-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]piperidine-4-carboxylate
methyl 1-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}piperidine-4-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 496.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.28
ACD/KOC (pH 5.5): 221.62
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.26
ACD/KOC (pH 7.4): 221.32
Polar Surface Area: 82 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 65.2±3.0 dyne/cm
Molar Volume: 245.9±3.0 cm3

Click to predict properties on the Chemicalize site






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