1-cyclopentyl-N-methyl-6-oxo-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide

• ChemBase ID: 444316
• Molecular Formular: C20H25N3O2S2
• Molecular Mass: 403.5614
• Monoisotopic Mass: 403.13881906
• SMILES: N1(CC(C(=O)N(Cc2nc(sc2)c2sccc2)C)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(N(Cc1csc(n1)c1cccs1)C)C1CCC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C20H25N3O2S2/c1-22(12-15-13-27-19(21-15)17-7-4-10-26-17)20(25)14-8-9-18(24)23(11-14)16-5-2-3-6-16/h4,7,10,13-14,16H,2-3,5-6,8-9,11-12H2,1H3
• InChIKey: YUIJABZCXIFRCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-methyl-6-oxo-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-methyl-6-oxo-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-methyl-6-oxo-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7290285
• LogD (pH = 7.4): 2.7290545
• Log P: 2.729055
• Molar Refractivity: 117.1606 cm^3
• Polarizability: 41.977978 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: 2.87
• LOG S: -3.49
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5