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

• ChemBase ID: 470187
• Molecular Formular: C18H23N3OS
• Molecular Mass: 329.45972
• Monoisotopic Mass: 329.15618337
• SMILES: n1c(csc1C)CNC(=O)CN1CCC(CC1)c1ccccc1
• Canonical SMILES: O=C(CN1CCC(CC1)c1ccccc1)NCc1csc(n1)C
• InChI: InChI=1S/C18H23N3OS/c1-14-20-17(13-23-14)11-19-18(22)12-21-9-7-16(8-10-21)15-5-3-2-4-6-15/h2-6,13,16H,7-12H2,1H3,(H,19,22)
• InChIKey: KNVOSEOTTRVXJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.703724
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.06957768
• LogD (pH = 7.4): 1.6537083
• Log P: 1.9438779
• Molar Refractivity: 93.3167 cm^3
• Polarizability: 36.113644 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: 2.2
• LOG S: -3.48
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5