N-(2-cyclopentylethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 490786
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)CCC(C(=O)NCCC2CCCC2)C1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CCC1=O)C(=O)NCCC1CCCC1
• InChI: InChI=1S/C22H32N2O3/c1-27-20-9-6-18(7-10-20)13-15-24-16-19(8-11-21(24)25)22(26)23-14-12-17-4-2-3-5-17/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,23,26)
• InChIKey: WHTKSYBYCJDSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-cyclopentylethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-(2-cyclopentylethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
• Synonyms: N-(2-cyclopentylethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.806797
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7758133
• LogD (pH = 7.4): 2.7758133
• Log P: 2.7758133
• Molar Refractivity: 106.2132 cm^3
• Polarizability: 41.426884 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.68
• LOG S: -4.07
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7