N-benzyl-N-methyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide

• ChemBase ID: 580094
• Molecular Formular: C20H27N3OS
• Molecular Mass: 357.51288
• Monoisotopic Mass: 357.1874835
• SMILES: n1c(scc1)CN1CCC(CCC(=O)N(Cc2ccccc2)C)CC1
• Canonical SMILES: O=C(N(Cc1ccccc1)C)CCC1CCN(CC1)Cc1nccs1
• InChI: InChI=1S/C20H27N3OS/c1-22(15-18-5-3-2-4-6-18)20(24)8-7-17-9-12-23(13-10-17)16-19-21-11-14-25-19/h2-6,11,14,17H,7-10,12-13,15-16H2,1H3
• InChIKey: WAYBTZTXMMCLBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
• IUPAC Traditional name: N-benzyl-N-methyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
• Synonyms: N-benzyl-N-methyl-3-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6351444
• LogD (pH = 7.4): 2.3080378
• Log P: 2.7177653
• Molar Refractivity: 102.9223 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: 2.3
• LOG S: -3.0
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7