N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 378874
• Molecular Formular: C20H25N3O2S
• Molecular Mass: 371.4964
• Monoisotopic Mass: 371.16674806
• SMILES: C1(C(=O)N(Cc2nccs2)C)CN(C(=O)CC1)CCCc1ccccc1
• Canonical SMILES: O=C(N(Cc1nccs1)C)C1CCC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C20H25N3O2S/c1-22(15-18-21-11-13-26-18)20(25)17-9-10-19(24)23(14-17)12-5-8-16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3
• InChIKey: TWYRNJZCFAACKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0216384
• LogD (pH = 7.4): 2.0218298
• Log P: 2.0218322
• Molar Refractivity: 102.5737 cm^3
• Polarizability: 39.649845 Å^3
• Polar Surface Area: 53.51 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: 1.72
• LOG S: -2.91
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 7