N-[1-(4-methylphenyl)ethyl]-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetamide

• ChemBase ID: 464408
• Molecular Formular: C22H29N3O2
• Molecular Mass: 367.48456
• Monoisotopic Mass: 367.22597718
• SMILES: C(=O)(NC(c1ccc(cc1)C)C)CN1CCC(CC1)OCc1cnccc1
• Canonical SMILES: O=C(NC(c1ccc(cc1)C)C)CN1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C22H29N3O2/c1-17-5-7-20(8-6-17)18(2)24-22(26)15-25-12-9-21(10-13-25)27-16-19-4-3-11-23-14-19/h3-8,11,14,18,21H,9-10,12-13,15-16H2,1-2H3,(H,24,26)
• InChIKey: OIZPLWFEOOGECY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methylphenyl)ethyl]-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-[1-(4-methylphenyl)ethyl]-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetamide
• Synonyms: N-[1-(4-methylphenyl)ethyl]-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.390757
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.20887804
• LogD (pH = 7.4): 1.8788438
• Log P: 2.2073426
• Molar Refractivity: 107.7954 cm^3
• Polarizability: 41.898956 Å^3
• Polar Surface Area: 54.46 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: 2.44
• LOG S: -2.66
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7