N-(4-fluorophenyl)-1-(7-methyl-1-benzofuran-2-carbonyl)piperidin-3-amine

• ChemBase ID: 593475
• Molecular Formular: C21H21FN2O2
• Molecular Mass: 352.4020432
• Monoisotopic Mass: 352.15870614
• SMILES: c1(oc2c(c1)cccc2C)C(=O)N1CC(Nc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)c1cc2c(o1)c(C)ccc2
• InChI: InChI=1S/C21H21FN2O2/c1-14-4-2-5-15-12-19(26-20(14)15)21(25)24-11-3-6-18(13-24)23-17-9-7-16(22)8-10-17/h2,4-5,7-10,12,18,23H,3,6,11,13H2,1H3
• InChIKey: WFCZCSBOWCWMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(7-methyl-1-benzofuran-2-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(7-methyl-1-benzofuran-2-carbonyl)piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-[(7-methyl-1-benzofuran-2-yl)carbonyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.6877298
• LogD (pH = 7.4): 3.745757
• Log P: 3.7465496
• Molar Refractivity: 100.4 cm^3
• Polarizability: 38.17357 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.11
• LOG S: -4.42
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3