N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide

• ChemBase ID: 330410
• Molecular Formular: C22H27N3O2
• Molecular Mass: 365.46868
• Monoisotopic Mass: 365.21032712
• SMILES: C(=O)(C(=O)c1cnccc1)N(CC1CCN(CC1)C)CCc1ccccc1
• Canonical SMILES: CN1CCC(CC1)CN(C(=O)C(=O)c1cccnc1)CCc1ccccc1
• InChI: InChI=1S/C22H27N3O2/c1-24-13-9-19(10-14-24)17-25(15-11-18-6-3-2-4-7-18)22(27)21(26)20-8-5-12-23-16-20/h2-8,12,16,19H,9-11,13-15,17H2,1H3
• InChIKey: XDUPMKJHRCTIOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide
• IUPAC Traditional name: N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-N-(2-phenylethyl)-2-(pyridin-3-yl)acetamide
• Synonyms: N-[(1-methylpiperidin-4-yl)methyl]-2-oxo-N-(2-phenylethyl)-2-pyridin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.27396375
• LogD (pH = 7.4): 1.5027275
• Log P: 2.4137657
• Molar Refractivity: 107.3511 cm^3
• Polarizability: 41.33914 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.59
• LOG S: -4.08
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7