3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

• ChemBase ID: 342245
• Molecular Formular: C26H34N2O3
• Molecular Mass: 422.55976
• Monoisotopic Mass: 422.25694296
• SMILES: C(=O)(N[C@@H](c1ccc(cc1)OC)C)c1cc(OC2CCN(CC2)C2CCCC2)ccc1
• Canonical SMILES: COc1ccc(cc1)[C@H](NC(=O)c1cccc(c1)OC1CCN(CC1)C1CCCC1)C
• InChI: InChI=1S/C26H34N2O3/c1-19(20-10-12-23(30-2)13-11-20)27-26(29)21-6-5-9-25(18-21)31-24-14-16-28(17-15-24)22-7-3-4-8-22/h5-6,9-13,18-19,22,24H,3-4,7-8,14-17H2,1-2H3,(H,27,29)/t19-/m1/s1
• InChIKey: DOTPIBBKDLKEDW-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
• IUPAC Traditional name: 3-[(1-cyclopentylpiperidin-4-yl)oxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
• Synonyms: 3-[(1-cyclopentyl-4-piperidinyl)oxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.695956
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.872023
• LogD (pH = 7.4): 2.1643355
• Log P: 4.254776
• Molar Refractivity: 123.8552 cm^3
• Polarizability: 48.11617 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.53
• LOG S: -5.68
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6