2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide

• ChemBase ID: 409465
• Molecular Formular: C26H35N3O3
• Molecular Mass: 437.5744
• Monoisotopic Mass: 437.267842
• SMILES: c1(C(=O)N(Cc2c(cncc2)C)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)N(Cc1ccncc1C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C26H35N3O3/c1-19-17-27-13-10-20(19)18-28(2)26(30)24-16-23(31-3)8-9-25(24)32-22-11-14-29(15-12-22)21-6-4-5-7-21/h8-10,13,16-17,21-22H,4-7,11-12,14-15,18H2,1-3H3
• InChIKey: JQXJQPLTPRIDJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-methyl-N-[(3-methylpyridin-4-yl)methyl]benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.29069322
• LogD (pH = 7.4): 1.3005006
• Log P: 3.3576257
• Molar Refractivity: 127.2174 cm^3
• Polarizability: 48.978924 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.27
• LOG S: -3.76
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 6