N-(2-methoxyethyl)-3-{[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 539303
• Molecular Formular: C20H26N2O3S
• Molecular Mass: 374.49704
• Monoisotopic Mass: 374.1664137
• SMILES: C(=O)(c1cc(OC2CCN(Cc3cscc3)CC2)ccc1)NCCOC
• Canonical SMILES: COCCNC(=O)c1cccc(c1)OC1CCN(CC1)Cc1cscc1
• InChI: InChI=1S/C20H26N2O3S/c1-24-11-8-21-20(23)17-3-2-4-19(13-17)25-18-5-9-22(10-6-18)14-16-7-12-26-15-16/h2-4,7,12-13,15,18H,5-6,8-11,14H2,1H3,(H,21,23)
• InChIKey: KIASMEUNFUNYKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(2-methoxyethyl)-3-{[1-(3-thienylmethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.56998
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2588361
• LogD (pH = 7.4): 1.5152924
• Log P: 2.3746367
• Molar Refractivity: 104.7093 cm^3
• Polarizability: 40.147526 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -3.93
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7