1-acetyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide

• ChemBase ID: 625900
• Molecular Formular: C16H24N4O3S
• Molecular Mass: 352.45176
• Monoisotopic Mass: 352.15691165
• SMILES: c1(nc(cs1)CNC(=O)C1CN(C(=O)C)CCC1)N1CCOCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C)NCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C16H24N4O3S/c1-12(21)20-4-2-3-13(10-20)15(22)17-9-14-11-24-16(18-14)19-5-7-23-8-6-19/h11,13H,2-10H2,1H3,(H,17,22)
• InChIKey: JIHDKIVIAFKNIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-acetyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-acetyl-N-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide
• Synonyms: 1-acetyl-N-{[2-(4-morpholinyl)-1,3-thiazol-4-yl]methyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.941638
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.1009892
• LogD (pH = 7.4): 0.10134195
• Log P: 0.10134656
• Molar Refractivity: 91.4813 cm^3
• Polarizability: 34.92631 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.67
• LOG S: -1.65
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 4