N-{1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylethyl}-N,2-dimethylfuran-3-carboxamide

• ChemBase ID: 404323
• Molecular Formular: C28H32N2O4
• Molecular Mass: 460.56468
• Monoisotopic Mass: 460.23620751
• SMILES: c1(C(=O)N(C(C2CCN(C(=O)c3cc(OC)ccc3)CC2)Cc2ccccc2)C)c(occ1)C
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCC(CC1)C(N(C(=O)c1ccoc1C)C)Cc1ccccc1
• InChI: InChI=1S/C28H32N2O4/c1-20-25(14-17-34-20)28(32)29(2)26(18-21-8-5-4-6-9-21)22-12-15-30(16-13-22)27(31)23-10-7-11-24(19-23)33-3/h4-11,14,17,19,22,26H,12-13,15-16,18H2,1-3H3
• InChIKey: ATBOKJPDGQNMFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylethyl}-N,2-dimethylfuran-3-carboxamide
• IUPAC Traditional name: N-{1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylethyl}-N,2-dimethylfuran-3-carboxamide
• Synonyms: N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-2-phenylethyl}-N,2-dimethyl-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.094751
• LogD (pH = 7.4): 4.094751
• Log P: 4.094751
• Molar Refractivity: 133.3047 cm^3
• Polarizability: 50.33633 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.47
• LOG S: -4.7
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 6