N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide

• ChemBase ID: 669217
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: n1c(onc1CCNC(=O)C1(CN(CCC1)CC)C)C1CCCC1
• Canonical SMILES: CCN1CCCC(C1)(C)C(=O)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C18H30N4O2/c1-3-22-12-6-10-18(2,13-22)17(23)19-11-9-15-20-16(24-21-15)14-7-4-5-8-14/h14H,3-13H2,1-2H3,(H,19,23)
• InChIKey: WEFAIHLFMFDMIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
• Synonyms: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-ethyl-3-methyl-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.340253
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.80868185
• LogD (pH = 7.4): 0.40467703
• Log P: 2.7377722
• Molar Refractivity: 94.6652 cm^3
• Polarizability: 36.112328 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.02
• LOG S: -3.36
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6