3-[2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide

• ChemBase ID: 336247
• Molecular Formular: C19H23FN2O2
• Molecular Mass: 330.3965232
• Monoisotopic Mass: 330.17435621
• SMILES: N1(C(c2ccc(cc2)F)CCCC1)CCC(=O)NCc1occc1
• Canonical SMILES: O=C(NCc1ccco1)CCN1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C19H23FN2O2/c20-16-8-6-15(7-9-16)18-5-1-2-11-22(18)12-10-19(23)21-14-17-4-3-13-24-17/h3-4,6-9,13,18H,1-2,5,10-12,14H2,(H,21,23)
• InChIKey: KTGQYVAGBXAITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-[2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
• Synonyms: 3-[2-(4-fluorophenyl)piperidin-1-yl]-N-(2-furylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.287729
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.10691906
• LogD (pH = 7.4): 1.6119357
• Log P: 2.8839269
• Molar Refractivity: 91.1357 cm^3
• Polarizability: 35.02136 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.71
• LOG S: -4.78
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 6