1-cyclobutanecarbonyl-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 835967
• Molecular Formular: C18H25N3O2S
• Molecular Mass: 347.475
• Monoisotopic Mass: 347.16674806
• SMILES: N(C(=O)C1CCN(C(=O)C2CCC2)CC1)(C1CC1)Cc1nccs1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccs1)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C18H25N3O2S/c22-17(13-2-1-3-13)20-9-6-14(7-10-20)18(23)21(15-4-5-15)12-16-19-8-11-24-16/h8,11,13-15H,1-7,9-10,12H2
• InChIKey: LYNLXJFMZQHXAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2767513
• LogD (pH = 7.4): 1.2769433
• Log P: 1.2769457
• Molar Refractivity: 92.6162 cm^3
• Polarizability: 35.994675 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.58
• LOG S: -3.08
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5