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

• ChemBase ID: 633081
• Molecular Formular: C23H30N2O4
• Molecular Mass: 398.4953
• Monoisotopic Mass: 398.22055745
• SMILES: c1(C(=O)NCc2occc2)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCc1ccco1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H30N2O4/c1-27-19-8-9-22(21(15-19)23(26)24-16-20-7-4-14-28-20)29-18-10-12-25(13-11-18)17-5-2-3-6-17/h4,7-9,14-15,17-18H,2-3,5-6,10-13,16H2,1H3,(H,24,26)
• InChIKey: NGXWHZRJQUNLBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)-5-methoxybenzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(furan-2-ylmethyl)-5-methoxybenzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(2-furylmethyl)-5-methoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.492878
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.47448102
• LogD (pH = 7.4): 0.8459188
• Log P: 2.8984475
• Molar Refractivity: 111.8273 cm^3
• Polarizability: 43.142227 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.43
• LOG S: -4.62
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 6