N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 502659
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: N1(C(=O)CCC(C(=O)NCCc2c(ncs2)C)C1)CCc1ncccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCc1ccccn1)NCCc1scnc1C
• InChI: InChI=1S/C19H24N4O2S/c1-14-17(26-13-22-14)7-10-21-19(25)15-5-6-18(24)23(12-15)11-8-16-4-2-3-9-20-16/h2-4,9,13,15H,5-8,10-12H2,1H3,(H,21,25)
• InChIKey: NNTVGJRETVXERS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• Synonyms: N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.146002
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60074204
• LogD (pH = 7.4): 0.6444543
• Log P: 0.64504284
• Molar Refractivity: 100.2553 cm^3
• Polarizability: 38.687004 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: 0.28
• LOG S: -3.51
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 7