3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-(5-methoxyfuran-2-carbonyl)piperidine

• ChemBase ID: 649677
• Molecular Formular: C24H23NO4
• Molecular Mass: 389.44372
• Monoisotopic Mass: 389.16270822
• SMILES: c1(C(=O)N2CC(C(=O)c3c4c5c(cc3)CCc5ccc4)CCC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N1CCCC(C1)C(=O)c1ccc2c3c1cccc3CC2
• InChI: InChI=1S/C24H23NO4/c1-28-21-12-11-20(29-21)24(27)25-13-3-5-17(14-25)23(26)19-10-9-16-8-7-15-4-2-6-18(19)22(15)16/h2,4,6,9-12,17H,3,5,7-8,13-14H2,1H3
• InChIKey: RSBHGEXETDSOQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-(5-methoxyfuran-2-carbonyl)piperidine
• IUPAC Traditional name: 3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-(5-methoxyfuran-2-carbonyl)piperidine
• Synonyms: 1,2-dihydro-5-acenaphthylenyl[1-(5-methoxy-2-furoyl)-3-piperidinyl]methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.305338
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7989554
• LogD (pH = 7.4): 3.7989554
• Log P: 3.7989554
• Molar Refractivity: 109.8126 cm^3
• Polarizability: 42.820126 Å^3
• Polar Surface Area: 59.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.98
• LOG S: -4.94
• Polar Surface Area: 59.75 Å^2
• Rotatable Bonds: 3