N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]propanamide

• ChemBase ID: 455379
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: N1(CCC(CC1)CCC(=O)NCCOC)C(COc1ccccc1)C
• Canonical SMILES: COCCNC(=O)CCC1CCN(CC1)C(COc1ccccc1)C
• InChI: InChI=1S/C20H32N2O3/c1-17(16-25-19-6-4-3-5-7-19)22-13-10-18(11-14-22)8-9-20(23)21-12-15-24-2/h3-7,17-18H,8-16H2,1-2H3,(H,21,23)
• InChIKey: GWGHNSJHTRUGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.972275
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9855142
• LogD (pH = 7.4): 0.46639386
• Log P: 2.3268328
• Molar Refractivity: 100.2795 cm^3
• Polarizability: 39.485035 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -3.02
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9