5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide

• ChemBase ID: 756296
• Molecular Formular: C19H29N3O2S
• Molecular Mass: 363.51746
• Monoisotopic Mass: 363.19804818
• SMILES: c1(sc2c(c1)CN(C(=O)CC1CCN(CC1)CC)CC2)C(=O)N(C)C
• Canonical SMILES: CCN1CCC(CC1)CC(=O)N1CCc2c(C1)cc(s2)C(=O)N(C)C
• InChI: InChI=1S/C19H29N3O2S/c1-4-21-8-5-14(6-9-21)11-18(23)22-10-7-16-15(13-22)12-17(25-16)19(24)20(2)3/h12,14H,4-11,13H2,1-3H3
• InChIKey: UXBQGUNGXDAGCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• IUPAC Traditional name: 5-[2-(1-ethylpiperidin-4-yl)acetyl]-N,N-dimethyl-4H,6H,7H-thieno[3,2-c]pyridine-2-carboxamide
• Synonyms: 5-[(1-ethyl-4-piperidinyl)acetyl]-N,N-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6676338
• LogD (pH = 7.4): -0.097378336
• Log P: 1.5567739
• Molar Refractivity: 102.8877 cm^3
• Polarizability: 38.8981 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -3.17
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4