2-(3-methyl-3-phenylpiperidin-1-yl)-6-(pyrrolidine-1-carbonyl)pyrazine

• ChemBase ID: 648839
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: c1(nc(N2CC(c3ccccc3)(CCC2)C)cnc1)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1cncc(n1)N1CCCC(C1)(C)c1ccccc1)N1CCCC1
• InChI: InChI=1S/C21H26N4O/c1-21(17-8-3-2-4-9-17)10-7-13-25(16-21)19-15-22-14-18(23-19)20(26)24-11-5-6-12-24/h2-4,8-9,14-15H,5-7,10-13,16H2,1H3
• InChIKey: ALTAZYDSYTYXSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-3-phenylpiperidin-1-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• IUPAC Traditional name: 2-(3-methyl-3-phenylpiperidin-1-yl)-6-(pyrrolidine-1-carbonyl)pyrazine
• Synonyms: 2-(3-methyl-3-phenylpiperidin-1-yl)-6-(pyrrolidin-1-ylcarbonyl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0571856
• LogD (pH = 7.4): 3.0571864
• Log P: 3.0571864
• Molar Refractivity: 103.6338 cm^3
• Polarizability: 38.9885 Å^3
• Polar Surface Area: 49.33 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: 3.2
• LOG S: -5.87
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3