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

• ChemBase ID: 699437
• Molecular Formular: C18H23N3OS
• Molecular Mass: 329.45972
• Monoisotopic Mass: 329.15618337
• SMILES: n1c(scc1)CCNC(=O)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: O=C(CN1CCC(CC1)c1ccccc1)NCCc1nccs1
• InChI: InChI=1S/C18H23N3OS/c22-17(19-9-6-18-20-10-13-23-18)14-21-11-7-16(8-12-21)15-4-2-1-3-5-15/h1-5,10,13,16H,6-9,11-12,14H2,(H,19,22)
• InChIKey: GMUMMXCYLMRFJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.229806
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.021793274
• LogD (pH = 7.4): 1.6471641
• Log P: 2.0495205
• Molar Refractivity: 93.4246 cm^3
• Polarizability: 36.19772 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: 2.98
• LOG S: -4.15
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6