N-methyl-4-(piperidin-1-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]benzamide

• ChemBase ID: 611217
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: C(=O)(N(C(c1scnc1)C)C)c1ccc(CN2CCCCC2)cc1
• Canonical SMILES: CC(N(C(=O)c1ccc(cc1)CN1CCCCC1)C)c1scnc1
• InChI: InChI=1S/C19H25N3OS/c1-15(18-12-20-14-24-18)21(2)19(23)17-8-6-16(7-9-17)13-22-10-4-3-5-11-22/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3
• InChIKey: AUGCQWVNZCFVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-(piperidin-1-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-4-(piperidin-1-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]benzamide
• Synonyms: N-methyl-4-(1-piperidinylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.17644036
• LogD (pH = 7.4): 1.4424
• Log P: 2.9952815
• Molar Refractivity: 99.6384 cm^3
• Polarizability: 37.892445 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.32
• LOG S: -2.83
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5