N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 368728
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: N1(C(=O)CCC(C(=O)NCc2nc(sc2)CC)C1)CCc1ncccc1
• Canonical SMILES: CCc1scc(n1)CNC(=O)C1CCC(=O)N(C1)CCc1ccccn1
• InChI: InChI=1S/C19H24N4O2S/c1-2-17-22-16(13-26-17)11-21-19(25)14-6-7-18(24)23(12-14)10-8-15-5-3-4-9-20-15/h3-5,9,13-14H,2,6-8,10-12H2,1H3,(H,21,25)
• InChIKey: YDKMHNIDELYFOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• Synonyms: N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.769526
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9528986
• LogD (pH = 7.4): 0.99705017
• Log P: 0.99764454
• Molar Refractivity: 99.5597 cm^3
• Polarizability: 38.68749 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.68
• LOG S: -3.62
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 6