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

• ChemBase ID: 860768
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: N1(C(=O)CCOc2ccccc2)CCC(CCC(=O)N(Cc2ccccc2)C)CC1
• Canonical SMILES: CN(C(=O)CCC1CCN(CC1)C(=O)CCOc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C25H32N2O3/c1-26(20-22-8-4-2-5-9-22)24(28)13-12-21-14-17-27(18-15-21)25(29)16-19-30-23-10-6-3-7-11-23/h2-11,21H,12-20H2,1H3
• InChIKey: MXTIVVUFKVHFME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2421434
• LogD (pH = 7.4): 3.2421436
• Log P: 3.2421436
• Molar Refractivity: 118.707 cm^3
• Polarizability: 46.228313 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.23
• LOG S: -4.53
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 9