1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(piperidin-1-yl)butan-1-one

• ChemBase ID: 715851
• Molecular Formular: C17H28N4O2
• Molecular Mass: 320.42982
• Monoisotopic Mass: 320.22122616
• SMILES: c1(nc(no1)C)C1N(C(=O)CCCN2CCCCC2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1onc(n1)C)CCCN1CCCCC1
• InChI: InChI=1S/C17H28N4O2/c1-14-18-17(23-19-14)15-8-3-6-13-21(15)16(22)9-7-12-20-10-4-2-5-11-20/h15H,2-13H2,1H3
• InChIKey: IULGFHPNGBSUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(piperidin-1-yl)butan-1-one
• IUPAC Traditional name: 1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(piperidin-1-yl)butan-1-one
• Synonyms: 2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[4-(1-piperidinyl)butanoyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.6097503
• LogD (pH = 7.4): -0.14802921
• Log P: 1.8378606
• Molar Refractivity: 90.3521 cm^3
• Polarizability: 34.274693 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.48
• LOG S: -2.8
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 5