N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1-benzofuran-2-carboxamide

• ChemBase ID: 641924
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: c1(C(=O)N(C2CN(CCCc3ccccc3)CCC2)C)oc2c(c1)cccc2
• Canonical SMILES: CN(C(=O)c1cc2c(o1)cccc2)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H28N2O2/c1-25(24(27)23-17-20-12-5-6-14-22(20)28-23)21-13-8-16-26(18-21)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,12,14,17,21H,7-8,11,13,15-16,18H2,1H3
• InChIKey: JPTNHYGOHHZOFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-1-benzofuran-2-carboxamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4737608
• LogD (pH = 7.4): 3.235111
• Log P: 4.292275
• Molar Refractivity: 112.8473 cm^3
• Polarizability: 44.478355 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.72
• LOG S: -4.83
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6