N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

• ChemBase ID: 823425
• Molecular Formular: C20H27N3OS
• Molecular Mass: 357.51288
• Monoisotopic Mass: 357.1874835
• SMILES: N(C(=O)CCC1N(C)CCCC1)(Cc1nccs1)Cc1ccccc1
• Canonical SMILES: CN1CCCCC1CCC(=O)N(Cc1nccs1)Cc1ccccc1
• InChI: InChI=1S/C20H27N3OS/c1-22-13-6-5-9-18(22)10-11-20(24)23(16-19-21-12-14-25-19)15-17-7-3-2-4-8-17/h2-4,7-8,12,14,18H,5-6,9-11,13,15-16H2,1H3
• InChIKey: NUWBSYGKEPTOIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
• IUPAC Traditional name: N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide
• Synonyms: N-benzyl-3-(1-methylpiperidin-2-yl)-N-(1,3-thiazol-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.43050647
• LogD (pH = 7.4): 0.9341688
• Log P: 2.9252748
• Molar Refractivity: 102.7155 cm^3
• Polarizability: 39.956127 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.95
• LOG S: -4.32
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7