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

• ChemBase ID: 385916
• Molecular Formular: C19H25N3OS
• Molecular Mass: 343.4863
• Monoisotopic Mass: 343.17183344
• SMILES: C(=O)(N(C(c1scnc1)C)C)c1cc(CC2CCNCC2)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)CC1CCNCC1)C(c1cncs1)C
• InChI: InChI=1S/C19H25N3OS/c1-14(18-12-21-13-24-18)22(2)19(23)17-5-3-4-16(11-17)10-15-6-8-20-9-7-15/h3-5,11-15,20H,6-10H2,1-2H3
• InChIKey: DFEMZMPXGHMQMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4784806
• LogD (pH = 7.4): -0.02150506
• Log P: 2.7531521
• Molar Refractivity: 98.9757 cm^3
• Polarizability: 37.819084 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: 1.49
• LOG S: -2.98
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5