5,5-diphenyl-1-{2-[(pyridin-3-yl)amino]ethyl}piperidin-2-one

• ChemBase ID: 862396
• Molecular Formular: C24H25N3O
• Molecular Mass: 371.4748
• Monoisotopic Mass: 371.19976244
• SMILES: C1(CN(C(=O)CC1)CCNc1cnccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1CCC(CN1CCNc1cccnc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H25N3O/c28-23-13-14-24(20-8-3-1-4-9-20,21-10-5-2-6-11-21)19-27(23)17-16-26-22-12-7-15-25-18-22/h1-12,15,18,26H,13-14,16-17,19H2
• InChIKey: FRAQFQKPKOEESH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-diphenyl-1-{2-[(pyridin-3-yl)amino]ethyl}piperidin-2-one
• IUPAC Traditional name: 5,5-diphenyl-1-[2-(pyridin-3-ylamino)ethyl]piperidin-2-one
• Synonyms: 5,5-diphenyl-1-[2-(pyridin-3-ylamino)ethyl]piperidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8801973
• LogD (pH = 7.4): 3.1506798
• Log P: 3.1560435
• Molar Refractivity: 123.4356 cm^3
• Polarizability: 43.154106 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.69
• LOG S: -4.7
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6