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

• ChemBase ID: 415502
• Molecular Formular: C22H34N2O4
• Molecular Mass: 390.51636
• Monoisotopic Mass: 390.25185758
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)c1cc(OC)ccc1OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C22H34N2O4/c1-26-15-5-12-23-22(25)20-16-19(27-2)8-9-21(20)28-18-10-13-24(14-11-18)17-6-3-4-7-17/h8-9,16-18H,3-7,10-15H2,1-2H3,(H,23,25)
• InChIKey: DEFNUYCQDVOUNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.727469
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2462766
• LogD (pH = 7.4): 0.07395932
• Log P: 2.1267118
• Molar Refractivity: 110.7327 cm^3
• Polarizability: 42.9016 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.66
• LOG S: -4.18
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 7