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

• ChemBase ID: 691403
• Molecular Formular: C18H27N3O2S
• Molecular Mass: 349.49088
• Monoisotopic Mass: 349.18239812
• SMILES: n1c(csc1C)C(NC(=O)C1CCN(C(=O)C2CCCC2)CC1)C
• Canonical SMILES: CC(c1csc(n1)C)NC(=O)C1CCN(CC1)C(=O)C1CCCC1
• InChI: InChI=1S/C18H27N3O2S/c1-12(16-11-24-13(2)20-16)19-17(22)14-7-9-21(10-8-14)18(23)15-5-3-4-6-15/h11-12,14-15H,3-10H2,1-2H3,(H,19,22)
• InChIKey: KPUPFUWAFSVIMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.584667
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.731551
• LogD (pH = 7.4): 1.7323972
• Log P: 1.7324082
• Molar Refractivity: 94.1947 cm^3
• Polarizability: 36.631123 Å^3
• Polar Surface Area: 62.3 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1
• Log P: 1.47
• LOG S: -3.0
• Polar Surface Area: 62.3 Å^2