2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide

• ChemBase ID: 819129
• Molecular Formular: C18H28N2O3
• Molecular Mass: 320.42652
• Monoisotopic Mass: 320.20999277
• SMILES: N1(CCC(CC(=O)NCC(c2cc(OC)ccc2)O)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCC(c1cccc(c1)OC)O
• InChI: InChI=1S/C18H28N2O3/c1-3-20-9-7-14(8-10-20)11-18(22)19-13-17(21)15-5-4-6-16(12-15)23-2/h4-6,12,14,17,21H,3,7-11,13H2,1-2H3,(H,19,22)
• InChIKey: ZFRAEZNFEPIFRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.034529
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0625176
• LogD (pH = 7.4): -0.49226248
• Log P: 1.1618899
• Molar Refractivity: 91.4509 cm^3
• Polarizability: 35.722008 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.51
• LOG S: -2.83
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 7