5-(3,3-diphenylpiperidine-1-carbonyl)pyridin-2-amine

• ChemBase ID: 489291
• Molecular Formular: C23H23N3O
• Molecular Mass: 357.44822
• Monoisotopic Mass: 357.18411237
• SMILES: N1(C(=O)c2cnc(cc2)N)CC(c2ccccc2)(c2ccccc2)CCC1
• Canonical SMILES: Nc1ccc(cn1)C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H23N3O/c24-21-13-12-18(16-25-21)22(27)26-15-7-14-23(17-26,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16H,7,14-15,17H2,(H2,24,25)
• InChIKey: XCDCZUWQMDINFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4952765
• LogD (pH = 7.4): 3.6771042
• Log P: 3.6800451
• Molar Refractivity: 119.4829 cm^3
• Polarizability: 41.085682 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.72
• LOG S: -4.72
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 3