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

• ChemBase ID: 565851
• Molecular Formular: C20H24FN3O
• Molecular Mass: 341.4224632
• Monoisotopic Mass: 341.19034062
• SMILES: N1(Cc2cnccc2)CC(CCC(=O)Nc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(Nc1ccccc1F)CCC1CCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C20H24FN3O/c21-18-7-1-2-8-19(18)23-20(25)10-9-16-6-4-12-24(14-16)15-17-5-3-11-22-13-17/h1-3,5,7-8,11,13,16H,4,6,9-10,12,14-15H2,(H,23,25)
• InChIKey: KZTZVVNQWCTFRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propanamide
• Synonyms: N-(2-fluorophenyl)-3-[1-(3-pyridinylmethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.974554
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.18110178
• LogD (pH = 7.4): 1.9323194
• Log P: 3.0582085
• Molar Refractivity: 98.4185 cm^3
• Polarizability: 37.238968 Å^3
• Polar Surface Area: 45.23 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: 2.46
• LOG S: -3.94
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6