1-cyclopentanecarbonyl-3-(6-methoxynaphthalene-2-carbonyl)piperidine

• ChemBase ID: 354888
• Molecular Formular: C23H27NO3
• Molecular Mass: 365.46538
• Monoisotopic Mass: 365.19909373
• SMILES: N1(C(=O)C2CCCC2)CC(C(=O)c2cc3c(cc(cc3)OC)cc2)CCC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)C(=O)C1CCCC1
• InChI: InChI=1S/C23H27NO3/c1-27-21-11-10-17-13-19(9-8-18(17)14-21)22(25)20-7-4-12-24(15-20)23(26)16-5-2-3-6-16/h8-11,13-14,16,20H,2-7,12,15H2,1H3
• InChIKey: SMAMSYAUJYNWSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-3-(6-methoxynaphthalene-2-carbonyl)piperidine
• IUPAC Traditional name: 1-cyclopentanecarbonyl-3-(6-methoxynaphthalene-2-carbonyl)piperidine
• Synonyms: [1-(cyclopentylcarbonyl)-3-piperidinyl](6-methoxy-2-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.320879
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9010592
• LogD (pH = 7.4): 3.90106
• Log P: 3.90106
• Molar Refractivity: 105.8189 cm^3
• Polarizability: 42.26556 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.11
• LOG S: -4.04
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3