3-({1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}oxy)-N-(2-methoxyethyl)benzamide

• ChemBase ID: 523984
• Molecular Formular: C24H32N2O5
• Molecular Mass: 428.52128
• Monoisotopic Mass: 428.23112213
• SMILES: c1(c(cc(cc1)OC)OC)CN1CCC(Oc2cc(C(=O)NCCOC)ccc2)CC1
• Canonical SMILES: COCCNC(=O)c1cccc(c1)OC1CCN(CC1)Cc1ccc(cc1OC)OC
• InChI: InChI=1S/C24H32N2O5/c1-28-14-11-25-24(27)18-5-4-6-22(15-18)31-20-9-12-26(13-10-20)17-19-7-8-21(29-2)16-23(19)30-3/h4-8,15-16,20H,9-14,17H2,1-3H3,(H,25,27)
• InChIKey: XFMHOMIJRISIPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}oxy)-N-(2-methoxyethyl)benzamide
• IUPAC Traditional name: 3-({1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl}oxy)-N-(2-methoxyethyl)benzamide
• Synonyms: 3-{[1-(2,4-dimethoxybenzyl)-4-piperidinyl]oxy}-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.56998
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.15228786
• LogD (pH = 7.4): 1.8404022
• Log P: 2.2788522
• Molar Refractivity: 120.5299 cm^3
• Polarizability: 46.530605 Å^3
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.98
• LOG S: -3.84
• Polar Surface Area: 69.26 Å^2
• Rotatable Bonds: 7