5-[1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

• ChemBase ID: 399566
• Molecular Formular: C19H27N3O4S
• Molecular Mass: 393.50038
• Monoisotopic Mass: 393.17222736
• SMILES: c1(sc2c(c1)CN(C(=O)C1CN(C(=O)COC)CCC1)CC2)C(=O)N(C)C
• Canonical SMILES: COCC(=O)N1CCCC(C1)C(=O)N1CCc2c(C1)cc(s2)C(=O)N(C)C
• InChI: InChI=1S/C19H27N3O4S/c1-20(2)19(25)16-9-14-11-22(8-6-15(14)27-16)18(24)13-5-4-7-21(10-13)17(23)12-26-3/h9,13H,4-8,10-12H2,1-3H3
• InChIKey: LTKPQXLZZWWOPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• IUPAC Traditional name: 5-[1-(2-methoxyacetyl)piperidine-3-carbonyl]-N,N-dimethyl-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• Synonyms: 5-{[1-(methoxyacetyl)-3-piperidinyl]carbonyl}-N,N-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.830074
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22004448
• LogD (pH = 7.4): 0.22004472
• Log P: 0.22004473
• Molar Refractivity: 104.1346 cm^3
• Polarizability: 39.355095 Å^3
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.04
• LOG S: -3.41
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 4