1-cyclopentanecarbonyl-3-(4-methoxyphenoxymethyl)piperidine

• ChemBase ID: 406036
• Molecular Formular: C19H27NO3
• Molecular Mass: 317.42258
• Monoisotopic Mass: 317.19909373
• SMILES: N1(C(=O)C2CCCC2)CC(COc2ccc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc(cc1)OCC1CCCN(C1)C(=O)C1CCCC1
• InChI: InChI=1S/C19H27NO3/c1-22-17-8-10-18(11-9-17)23-14-15-5-4-12-20(13-15)19(21)16-6-2-3-7-16/h8-11,15-16H,2-7,12-14H2,1H3
• InChIKey: MVGQVFJTUGIBED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-3-(4-methoxyphenoxymethyl)piperidine
• IUPAC Traditional name: 1-cyclopentanecarbonyl-3-(4-methoxyphenoxymethyl)piperidine
• Synonyms: 1-(cyclopentylcarbonyl)-3-[(4-methoxyphenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0826933
• LogD (pH = 7.4): 3.0826948
• Log P: 3.0826948
• Molar Refractivity: 90.0271 cm^3
• Polarizability: 35.370045 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.72
• LOG S: -4.69
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5