3-(4-methoxy-2-methylbenzoyl)-1-(5-methoxyfuran-2-carbonyl)piperidine

• ChemBase ID: 669382
• Molecular Formular: C20H23NO5
• Molecular Mass: 357.40032
• Monoisotopic Mass: 357.15762284
• SMILES: c1(C(=O)N2CC(C(=O)c3c(cc(cc3)OC)C)CCC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(c(c1)C)C(=O)C1CCCN(C1)C(=O)c1ccc(o1)OC
• InChI: InChI=1S/C20H23NO5/c1-13-11-15(24-2)6-7-16(13)19(22)14-5-4-10-21(12-14)20(23)17-8-9-18(25-3)26-17/h6-9,11,14H,4-5,10,12H2,1-3H3
• InChIKey: ASHGCBMZGHPBNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxy-2-methylbenzoyl)-1-(5-methoxyfuran-2-carbonyl)piperidine
• IUPAC Traditional name: 3-(4-methoxy-2-methylbenzoyl)-1-(5-methoxyfuran-2-carbonyl)piperidine
• Synonyms: [1-(5-methoxy-2-furoyl)-3-piperidinyl](4-methoxy-2-methylphenyl)methanone

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 68.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 16.674492
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6021118
• LogD (pH = 7.4): 2.6021118
• Log P: 2.6021118
• Molar Refractivity: 96.5866 cm^3
• Polarizability: 36.839554 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 68.98 Å^2
• Rotatable Bonds: 3
• H Acceptors: 5
• H Donor: 0
• Log P: 3.07
• LOG S: -3.41