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

• ChemBase ID: 858096
• Molecular Formular: C16H27N3OS
• Molecular Mass: 309.47008
• Monoisotopic Mass: 309.1874835
• SMILES: c1(nc(cs1)C)C(N(C(=O)C1CCN(CC1)C(C)C)C)C
• Canonical SMILES: O=C(N(C(c1scc(n1)C)C)C)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C16H27N3OS/c1-11(2)19-8-6-14(7-9-19)16(20)18(5)13(4)15-17-12(3)10-21-15/h10-11,13-14H,6-9H2,1-5H3
• InChIKey: FVFLVRUFVUACJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(propan-2-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-isopropyl-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-isopropyl-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.5017828
• LogD (pH = 7.4): -0.09274669
• Log P: 1.8336394
• Molar Refractivity: 87.3864 cm^3
• Polarizability: 33.966373 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: 2.56
• LOG S: -3.64
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4