2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(thiophen-2-ylmethyl)benzamide

• ChemBase ID: 325402
• Molecular Formular: C20H24N2O4S
• Molecular Mass: 388.48056
• Monoisotopic Mass: 388.14567826
• SMILES: c1(C(=O)NCc2sccc2)c(OC2CCN(C(=O)COC)CC2)cccc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccccc1C(=O)NCc1cccs1
• InChI: InChI=1S/C20H24N2O4S/c1-25-14-19(23)22-10-8-15(9-11-22)26-18-7-3-2-6-17(18)20(24)21-13-16-5-4-12-27-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)
• InChIKey: DAQARQSJLFVXRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(thiophen-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(thiophen-2-ylmethyl)benzamide
• Synonyms: 2-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-(2-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.966409
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6068243
• LogD (pH = 7.4): 1.6068242
• Log P: 1.6068243
• Molar Refractivity: 104.1745 cm^3
• Polarizability: 39.869892 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -4.17
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6