N-ethyl-N-methyl-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]acetamide

• ChemBase ID: 323245
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(CN1CC(C(=O)c2ccc(Oc3ccccc3)cc2)CCC1)N(CC)C
• Canonical SMILES: CCN(C(=O)CN1CCCC(C1)C(=O)c1ccc(cc1)Oc1ccccc1)C
• InChI: InChI=1S/C23H28N2O3/c1-3-24(2)22(26)17-25-15-7-8-19(16-25)23(27)18-11-13-21(14-12-18)28-20-9-5-4-6-10-20/h4-6,9-14,19H,3,7-8,15-17H2,1-2H3
• InChIKey: MEZLUNJHEHZRDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 4.35
• LOG S: -5.69
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0

JChem

• Molar Refractivity: 110.7227 cm^3
• Polarizability: 42.97272 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 16.600441
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6852967
• LogD (pH = 7.4): 3.0164485
• Log P: 3.1489146