1-cyclohexyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 863234
• Molecular Formular: C17H27N3OS
• Molecular Mass: 321.48078
• Monoisotopic Mass: 321.1874835
• SMILES: C(=O)(N(Cc1nccs1)C)C1CCN(CC1)C1CCCCC1
• Canonical SMILES: O=C(N(Cc1nccs1)C)C1CCN(CC1)C1CCCCC1
• InChI: InChI=1S/C17H27N3OS/c1-19(13-16-18-9-12-22-16)17(21)14-7-10-20(11-8-14)15-5-3-2-4-6-15/h9,12,14-15H,2-8,10-11,13H2,1H3
• InChIKey: WDPFOMOFFNAZBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclohexyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-cyclohexyl-N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.299986
• LogD (pH = 7.4): -0.38357317
• Log P: 2.1593926
• Molar Refractivity: 90.1478 cm^3
• Polarizability: 35.163967 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -4.05
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4