N-benzyl-N-methyl-3-[1-(2-phenoxyacetyl)piperidin-4-yl]propanamide

• ChemBase ID: 690055
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: N1(C(=O)COc2ccccc2)CCC(CCC(=O)N(Cc2ccccc2)C)CC1
• Canonical SMILES: CN(C(=O)CCC1CCN(CC1)C(=O)COc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C24H30N2O3/c1-25(18-21-8-4-2-5-9-21)23(27)13-12-20-14-16-26(17-15-20)24(28)19-29-22-10-6-3-7-11-22/h2-11,20H,12-19H2,1H3
• InChIKey: JIZPLKRJAQSYKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-[1-(2-phenoxyacetyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-[1-(2-phenoxyacetyl)piperidin-4-yl]propanamide
• Synonyms: N-benzyl-N-methyl-3-[1-(phenoxyacetyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.586521
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0051308
• LogD (pH = 7.4): 3.0051308
• Log P: 3.0051308
• Molar Refractivity: 114.0076 cm^3
• Polarizability: 44.384895 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.96
• LOG S: -3.89
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8