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

• ChemBase ID: 656861
• Molecular Formular: C19H29N3O2S
• Molecular Mass: 363.51746
• Monoisotopic Mass: 363.19804818
• SMILES: c1(nc(cs1)C)C(N(C(=O)C1CCN(C(=O)C2CCCC2)CC1)C)C
• Canonical SMILES: CC(N(C(=O)C1CCN(CC1)C(=O)C1CCCC1)C)c1scc(n1)C
• InChI: InChI=1S/C19H29N3O2S/c1-13-12-25-17(20-13)14(2)21(3)18(23)16-8-10-22(11-9-16)19(24)15-6-4-5-7-15/h12,14-16H,4-11H2,1-3H3
• InChIKey: BZOZRQZDTICYSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-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): 1.9559568
• LogD (pH = 7.4): 1.9560827
• Log P: 1.9560843
• Molar Refractivity: 99.0914 cm^3
• Polarizability: 38.466923 Å^3
• Polar Surface Area: 53.51 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: 2.58
• LOG S: -4.05
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4