N-[4-(2-fluorophenoxy)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

• ChemBase ID: 330454
• Molecular Formular: C21H25FN2O3
• Molecular Mass: 372.4332032
• Monoisotopic Mass: 372.18492089
• SMILES: C(=O)(Nc1ccc(Oc2c(F)cccc2)cc1)C1CCN(CC1)CCOC
• Canonical SMILES: COCCN1CCC(CC1)C(=O)Nc1ccc(cc1)Oc1ccccc1F
• InChI: InChI=1S/C21H25FN2O3/c1-26-15-14-24-12-10-16(11-13-24)21(25)23-17-6-8-18(9-7-17)27-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3,(H,23,25)
• InChIKey: OHMPLHDEJMKNBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-fluorophenoxy)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[4-(2-fluorophenoxy)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
• Synonyms: N-[4-(2-fluorophenoxy)phenyl]-1-(2-methoxyethyl)piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.423793
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20755066
• LogD (pH = 7.4): 1.883588
• Log P: 3.2935956
• Molar Refractivity: 104.148 cm^3
• Polarizability: 39.574474 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.49
• LOG S: -4.9
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7