2-(dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 429069
• Molecular Formular: C22H31N3OS
• Molecular Mass: 385.56604
• Monoisotopic Mass: 385.21878363
• SMILES: c1(CC(=O)N(C2CN(CCCc3ccccc3)CCC2)C)sc(nc1C)C
• Canonical SMILES: O=C(N(C1CCCN(C1)CCCc1ccccc1)C)Cc1sc(nc1C)C
• InChI: InChI=1S/C22H31N3OS/c1-17-21(27-18(2)23-17)15-22(26)24(3)20-12-8-14-25(16-20)13-7-11-19-9-5-4-6-10-19/h4-6,9-10,20H,7-8,11-16H2,1-3H3
• InChIKey: YGGSGNMPVNJCCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.14119066
• LogD (pH = 7.4): 1.8132378
• Log P: 3.2389827
• Molar Refractivity: 112.2048 cm^3
• Polarizability: 43.399643 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: 3.85
• LOG S: -3.99
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 7