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

• ChemBase ID: 423963
• Molecular Formular: C26H34N2O4
• Molecular Mass: 438.55916
• Monoisotopic Mass: 438.25185758
• SMILES: c1(C(=O)NCc2cc(OC)ccc2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCc1cccc(c1)OC)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C26H34N2O4/c1-30-22-9-5-6-19(16-22)18-27-26(29)24-17-23(31-2)10-11-25(24)32-21-12-14-28(15-13-21)20-7-3-4-8-20/h5-6,9-11,16-17,20-21H,3-4,7-8,12-15,18H2,1-2H3,(H,27,29)
• InChIKey: AHRXFUWNGMEZHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.680644
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.30758458
• LogD (pH = 7.4): 1.6279395
• Log P: 3.6805296
• Molar Refractivity: 125.8996 cm^3
• Polarizability: 48.78898 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 4.18
• LOG S: -5.31
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 6