1-(2-methoxyethyl)-6-oxo-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 860305
• Molecular Formular: C19H23N3O3S
• Molecular Mass: 373.46922
• Monoisotopic Mass: 373.14601261
• SMILES: c1(ncc(s1)CNC(=O)C1CN(C(=O)CC1)CCOC)c1ccccc1
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)NCc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C19H23N3O3S/c1-25-10-9-22-13-15(7-8-17(22)23)18(24)20-11-16-12-21-19(26-16)14-5-3-2-4-6-14/h2-6,12,15H,7-11,13H2,1H3,(H,20,24)
• InChIKey: ACQOPHVSTUQZQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.232708
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3772925
• LogD (pH = 7.4): 1.377518
• Log P: 1.3775209
• Molar Refractivity: 110.3106 cm^3
• Polarizability: 39.1905 Å^3
• Polar Surface Area: 71.53 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: 1.6
• LOG S: -3.24
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 6