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

• ChemBase ID: 684461
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCC(C)C
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCCC(C)C)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H36N2O3/c1-17(2)10-13-24-23(26)21-16-20(27-3)8-9-22(21)28-19-11-14-25(15-12-19)18-6-4-5-7-18/h8-9,16-19H,4-7,10-15H2,1-3H3,(H,24,26)
• InChIKey: XXCNJEAFSXJSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.728507
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3516568
• LogD (pH = 7.4): 1.6718912
• Log P: 3.7246459
• Molar Refractivity: 113.246 cm^3
• Polarizability: 44.04636 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.28
• LOG S: -5.22
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6