1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

• ChemBase ID: 332298
• Molecular Formular: C19H22N6O2S
• Molecular Mass: 398.48198
• Monoisotopic Mass: 398.15249497
• SMILES: c1(nnc(s1)C)c1cc(NC(=O)C2N(Cc3nnc(o3)C)CCCC2)ccc1
• Canonical SMILES: Cc1nnc(o1)CN1CCCCC1C(=O)Nc1cccc(c1)c1nnc(s1)C
• InChI: InChI=1S/C19H22N6O2S/c1-12-21-23-17(27-12)11-25-9-4-3-8-16(25)18(26)20-15-7-5-6-14(10-15)19-24-22-13(2)28-19/h5-7,10,16H,3-4,8-9,11H2,1-2H3,(H,20,26)
• InChIKey: NLPHZHZKASVQQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
• IUPAC Traditional name: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide
• Synonyms: 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.096535
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.6109555
• LogD (pH = 7.4): 0.9822505
• Log P: 0.9898022
• Molar Refractivity: 120.4167 cm^3
• Polarizability: 40.66863 Å^3
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.79
• LOG S: -3.63
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 5