2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide

• ChemBase ID: 863614
• Molecular Formular: C21H32N2O4
• Molecular Mass: 376.48978
• Monoisotopic Mass: 376.23620751
• SMILES: c1(C(=O)NC(CO)C)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: OCC(NC(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1)C
• InChI: InChI=1S/C21H32N2O4/c1-15(14-24)22-21(25)19-13-18(26-2)7-8-20(19)27-17-9-11-23(12-10-17)16-5-3-4-6-16/h7-8,13,15-17,24H,3-6,9-12,14H2,1-2H3,(H,22,25)
• InChIKey: LYFZSTFNLYAGDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(1-hydroxypropan-2-yl)-5-methoxybenzamide
• Synonyms: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2-hydroxy-1-methylethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.786612
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.5327392
• LogD (pH = 7.4): -0.21237051
• Log P: 1.8402007
• Molar Refractivity: 105.5349 cm^3
• Polarizability: 40.99057 Å^3
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.09
• LOG S: -3.73
• Polar Surface Area: 71.03 Å^2
• Rotatable Bonds: 7