2-(3,3-diphenylpiperidine-1-carbonyl)-5-methylpyrazine

• ChemBase ID: 508936
• Molecular Formular: C23H23N3O
• Molecular Mass: 357.44822
• Monoisotopic Mass: 357.18411237
• SMILES: N1(C(=O)c2ncc(nc2)C)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: Cc1cnc(cn1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23N3O/c1-18-15-25-21(16-24-18)22(27)26-14-8-13-23(17-26,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3
• InChIKey: AEUBXIJLEGNWHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,3-diphenylpiperidine-1-carbonyl)-5-methylpyrazine
• IUPAC Traditional name: 2-(3,3-diphenylpiperidine-1-carbonyl)-5-methylpyrazine
• Synonyms: 2-[(3,3-diphenylpiperidin-1-yl)carbonyl]-5-methylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.21406
• LogD (pH = 7.4): 3.2140615
• Log P: 3.2140617
• Molar Refractivity: 116.5316 cm^3
• Polarizability: 40.818676 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.37
• LOG S: -5.36
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 3