2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

• ChemBase ID: 365751
• Molecular Formular: C14H23N3OS
• Molecular Mass: 281.41692
• Monoisotopic Mass: 281.15618337
• SMILES: c1(nccs1)C(NC(=O)CC1CCN(CC1)CC)C
• Canonical SMILES: CCN1CCC(CC1)CC(=O)NC(c1nccs1)C
• InChI: InChI=1S/C14H23N3OS/c1-3-17-7-4-12(5-8-17)10-13(18)16-11(2)14-15-6-9-19-14/h6,9,11-12H,3-5,7-8,10H2,1-2H3,(H,16,18)
• InChIKey: XZZPFLKYIRKUDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
• Synonyms: 2-(1-ethyl-4-piperidinyl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.24669
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9739558
• LogD (pH = 7.4): -0.40353358
• Log P: 1.2506196
• Molar Refractivity: 78.0545 cm^3
• Polarizability: 30.371927 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -2.72
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5