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

• ChemBase ID: 381097
• Molecular Formular: C17H26N4O3S
• Molecular Mass: 366.47834
• Monoisotopic Mass: 366.17256171
• SMILES: c1(nc(cs1)CNC(=O)C1CN(C(=O)CC)CCC1)N1CCOCC1
• Canonical SMILES: CCC(=O)N1CCCC(C1)C(=O)NCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C17H26N4O3S/c1-2-15(22)21-5-3-4-13(11-21)16(23)18-10-14-12-25-17(19-14)20-6-8-24-9-7-20/h12-13H,2-11H2,1H3,(H,18,23)
• InChIKey: NAOGJXNSEJWSQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.998029
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.801525
• LogD (pH = 7.4): 0.8018778
• Log P: 0.8018824
• Molar Refractivity: 96.1082 cm^3
• Polarizability: 36.754566 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.14
• LOG S: -2.21
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 5