{1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol

• ChemBase ID: 340439
• Molecular Formular: C16H27N3O2
• Molecular Mass: 293.40448
• Monoisotopic Mass: 293.21032712
• SMILES: n1c(noc1C1CCCC1)CN1CC(CO)(CCC1)CC
• Canonical SMILES: CCC1(CO)CCCN(C1)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C16H27N3O2/c1-2-16(12-20)8-5-9-19(11-16)10-14-17-15(21-18-14)13-6-3-4-7-13/h13,20H,2-12H2,1H3
• InChIKey: ALKXACAOVCBMPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol
• IUPAC Traditional name: {1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol
• Synonyms: {1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidin-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.071732
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9323452
• LogD (pH = 7.4): 2.7017133
• Log P: 2.729646
• Molar Refractivity: 83.1568 cm^3
• Polarizability: 31.83518 Å^3
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.37
• LOG S: -2.36
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 5