5-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]pyridin-2-ol

• ChemBase ID: 864167
• Molecular Formular: C24H22N2O3
• Molecular Mass: 386.44308
• Monoisotopic Mass: 386.16304257
• SMILES: N1(C(=O)c2cnc(cc2)O)CC(C(=O)c2c3c4c(cc2)CCc4ccc3)CCC1
• Canonical SMILES: Oc1ccc(cn1)C(=O)N1CCCC(C1)C(=O)c1ccc2c3c1cccc3CC2
• InChI: InChI=1S/C24H22N2O3/c27-21-11-9-17(13-25-21)24(29)26-12-2-4-18(14-26)23(28)20-10-8-16-7-6-15-3-1-5-19(20)22(15)16/h1,3,5,8-11,13,18H,2,4,6-7,12,14H2,(H,25,27)
• InChIKey: QNIIBMPXWNMFNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 5-[3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidine-1-carbonyl]pyridin-2-ol
• Synonyms: 1,2-dihydro-5-acenaphthylenyl{1-[(6-hydroxy-3-pyridinyl)carbonyl]-3-piperidinyl}methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.27594
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8802924
• LogD (pH = 7.4): 3.8797383
• Log P: 3.8803089
• Molar Refractivity: 111.8427 cm^3
• Polarizability: 43.143208 Å^3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.85
• LOG S: -5.3
• Polar Surface Area: 70.5 Å^2
• Rotatable Bonds: 3