1-[(2-methoxynaphthalen-1-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

• ChemBase ID: 789668
• Molecular Formular: C21H25N3O2
• Molecular Mass: 351.4421
• Monoisotopic Mass: 351.19467706
• SMILES: n1c(noc1C)CC1CCN(Cc2c3c(ccc2OC)cccc3)CC1
• Canonical SMILES: COc1ccc2c(c1CN1CCC(CC1)Cc1noc(n1)C)cccc2
• InChI: InChI=1S/C21H25N3O2/c1-15-22-21(23-26-15)13-16-9-11-24(12-10-16)14-19-18-6-4-3-5-17(18)7-8-20(19)25-2/h3-8,16H,9-14H2,1-2H3
• InChIKey: RHTCKZXAOYJNGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• IUPAC Traditional name: 1-[(2-methoxynaphthalen-1-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine
• Synonyms: 1-[(2-methoxy-1-naphthyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4504667
• LogD (pH = 7.4): 2.1401503
• Log P: 3.6599603
• Molar Refractivity: 103.5666 cm^3
• Polarizability: 40.430073 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.22
• LOG S: -3.5
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5