N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide

• ChemBase ID: 369537
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: N1(C(C(=O)NCCc2c3c(ccc2OC)cccc3)CCCC1)C
• Canonical SMILES: COc1ccc2c(c1CCNC(=O)C1CCCCN1C)cccc2
• InChI: InChI=1S/C20H26N2O2/c1-22-14-6-5-9-18(22)20(23)21-13-12-17-16-8-4-3-7-15(16)10-11-19(17)24-2/h3-4,7-8,10-11,18H,5-6,9,12-14H2,1-2H3,(H,21,23)
• InChIKey: DIDUGCSOLHNYPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
• IUPAC Traditional name: N-[2-(2-methoxynaphthalen-1-yl)ethyl]-1-methylpiperidine-2-carboxamide
• Synonyms: N-[2-(2-methoxy-1-naphthyl)ethyl]-1-methylpiperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.692874
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69502383
• LogD (pH = 7.4): 2.430435
• Log P: 2.9921484
• Molar Refractivity: 96.9599 cm^3
• Polarizability: 38.96632 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.94
• LOG S: -4.09
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5