1-cyclopentyl-6-oxo-N-[2-(propan-2-yloxy)ethyl]piperidine-3-carboxamide

• ChemBase ID: 317365
• Molecular Formular: C16H28N2O3
• Molecular Mass: 296.40512
• Monoisotopic Mass: 296.20999277
• SMILES: N1(CC(C(=O)NCCOC(C)C)CCC1=O)C1CCCC1
• Canonical SMILES: CC(OCCNC(=O)C1CCC(=O)N(C1)C1CCCC1)C
• InChI: InChI=1S/C16H28N2O3/c1-12(2)21-10-9-17-16(20)13-7-8-15(19)18(11-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,17,20)
• InChIKey: PIWSTNYEVNSRAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-6-oxo-N-[2-(propan-2-yloxy)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-(2-isopropoxyethyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-(2-isopropoxyethyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.820033
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96512985
• LogD (pH = 7.4): 0.9651302
• Log P: 0.9651302
• Molar Refractivity: 81.1845 cm^3
• Polarizability: 31.86858 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.99
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5