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

• ChemBase ID: 582497
• Molecular Formular: C19H25N3O3S
• Molecular Mass: 375.4851
• Monoisotopic Mass: 375.16166268
• SMILES: n1c(scc1)CN1CCC(Oc2cc(C(=O)NCCOC)ccc2)CC1
• Canonical SMILES: COCCNC(=O)c1cccc(c1)OC1CCN(CC1)Cc1nccs1
• InChI: InChI=1S/C19H25N3O3S/c1-24-11-7-21-19(23)15-3-2-4-17(13-15)25-16-5-9-22(10-6-16)14-18-20-8-12-26-18/h2-4,8,12-13,16H,5-7,9-11,14H2,1H3,(H,21,23)
• InChIKey: ZMBZCZQYHVNVGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.56998
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.009653598
• LogD (pH = 7.4): 1.2292887
• Log P: 1.3261539
• Molar Refractivity: 102.1389 cm^3
• Polarizability: 39.29221 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.31
• LOG S: -3.49
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7