1-(2-methoxyethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 583596
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: n1c(csc1CNC(=O)C1CN(CCC1)CCOC)c1ccccc1
• Canonical SMILES: COCCN1CCCC(C1)C(=O)NCc1scc(n1)c1ccccc1
• InChI: InChI=1S/C19H25N3O2S/c1-24-11-10-22-9-5-8-16(13-22)19(23)20-12-18-21-17(14-25-18)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,20,23)
• InChIKey: CMCWFSBNPTVZFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-methoxyethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
• Synonyms: 1-(2-methoxyethyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.760681
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.897593
• LogD (pH = 7.4): 0.7176211
• Log P: 2.2784536
• Molar Refractivity: 99.8906 cm^3
• Polarizability: 40.162712 Å^3
• Polar Surface Area: 54.46 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: 2.12
• LOG S: -3.63
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 7