2-methoxy-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 340823
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: N(C(=O)COC)(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: COCC(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C18H28N2O2/c1-19(18(21)15-22-2)17-11-7-13-20(14-17)12-6-10-16-8-4-3-5-9-16/h3-5,8-9,17H,6-7,10-15H2,1-2H3
• InChIKey: LJTHRFDUWGJNJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-methoxy-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-methoxy-N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.825285
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.87286174
• LogD (pH = 7.4): 0.81782085
• Log P: 2.1848543
• Molar Refractivity: 89.9116 cm^3
• Polarizability: 35.051704 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.03
• LOG S: -1.3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6