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

• ChemBase ID: 823929
• Molecular Formular: C15H25N3OS
• Molecular Mass: 295.4435
• Monoisotopic Mass: 295.17183344
• SMILES: c1(nccs1)C(NC(=O)CC1CCN(CC1)CC)CC
• Canonical SMILES: CCC(c1nccs1)NC(=O)CC1CCN(CC1)CC
• InChI: InChI=1S/C15H25N3OS/c1-3-13(15-16-7-10-20-15)17-14(19)11-12-5-8-18(4-2)9-6-12/h7,10,12-13H,3-6,8-9,11H2,1-2H3,(H,17,19)
• InChIKey: CKGHQQXWIYVNCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.213346
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4514313
• LogD (pH = 7.4): 0.118988894
• Log P: 1.773142
• Molar Refractivity: 82.5785 cm^3
• Polarizability: 32.210445 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -3.28
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6