1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-3-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 344376
• Molecular Formular: C20H33N5O2
• Molecular Mass: 375.50832
• Monoisotopic Mass: 375.26342532
• SMILES: c1(nnc(o1)CC)CN1CCC(N2CC(C(=O)N3CCCC3)CCC2)CC1
• Canonical SMILES: CCc1nnc(o1)CN1CCC(CC1)N1CCCC(C1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H33N5O2/c1-2-18-21-22-19(27-18)15-23-12-7-17(8-13-23)25-11-5-6-16(14-25)20(26)24-9-3-4-10-24/h16-17H,2-15H2,1H3
• InChIKey: FAFWJAXCZSUHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-3-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-{1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}-3-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 1'-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.543423
• LogD (pH = 7.4): -2.3817585
• Log P: 0.09488055
• Molar Refractivity: 106.7565 cm^3
• Polarizability: 40.593082 Å^3
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.63
• LOG S: -3.33
• Polar Surface Area: 65.71 Å^2
• Rotatable Bonds: 5