2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

C19H20N4O2S — CID 118789182

About 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 118789182) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 118789182
• Molecular Formula: C19H20N4O2S
• Molecular Weight: 368.46 g/mol
• Exact Mass: 368.13
• IUPAC Name: 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
• SMILES: CC(=O)c1cc(CC(=O)N2CCCC(c3nnc4ccccn34)C2)cs1
• InChI: InChI=1S/C19H20N4O2S/c1-13(24)16-9-14(12-26-16)10-18(25)22-7-4-5-15(11-22)19-21-20-17-6-2-3-8-23(17)19/h2-3,6,8-9,12,15H,4-5,7,10-11H2,1H3
• InChIKey: FMXUNDONCPZBCR-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 67.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.46
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone (CID 118789182) is 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)c1cc(CC(=O)N2CCCC(c3nnc4ccccn34)C2)cs1.

What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

The InChIKey is FMXUNDONCPZBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-13(24)16-9-14(12-26-16)10-18(25)22-7-4-5-15(11-22)19-21-20-17-6-2-3-8-23(17)19/h2-3,6,8-9,12,15H,4-5,7,10-11H2,1H3.

What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone?

2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 368.46 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-acetylthiophen-3-yl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118789182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).