2-(3-methyl-3-phenylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)pyridine

• ChemBase ID: 677849
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: c1(c(N2CC(c3ccccc3)(CCC2)C)nccc1)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1cccnc1N1CCCC(C1)(C)c1ccccc1)N1CCCC1
• InChI: InChI=1S/C22H27N3O/c1-22(18-9-3-2-4-10-18)12-8-16-25(17-22)20-19(11-7-13-23-20)21(26)24-14-5-6-15-24/h2-4,7,9-11,13H,5-6,8,12,14-17H2,1H3
• InChIKey: DMSRRCUBIBKCRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7482162
• LogD (pH = 7.4): 3.8868933
• Log P: 3.8890085
• Molar Refractivity: 106.1627 cm^3
• Polarizability: 39.88245 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.88
• LOG S: -6.27
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3