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

• ChemBase ID: 352752
• Molecular Formular: C21H28N2O2
• Molecular Mass: 340.45922
• Monoisotopic Mass: 340.21507815
• SMILES: N1(CCC(CC(=O)NCC(c2cc3c(cc2)cccc3)O)CC1)CC
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NCC(c1ccc2c(c1)cccc2)O
• InChI: InChI=1S/C21H28N2O2/c1-2-23-11-9-16(10-12-23)13-21(25)22-15-20(24)19-8-7-17-5-3-4-6-18(17)14-19/h3-8,14,16,20,24H,2,9-13,15H2,1H3,(H,22,25)
• InChIKey: YQOAQARHGVNJFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.052916
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9153696
• LogD (pH = 7.4): 0.65488553
• Log P: 2.309038
• Molar Refractivity: 101.4379 cm^3
• Polarizability: 40.750286 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.83
• LOG S: -4.1
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6