1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H26N4O2S — CID 55921660

About 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55921660) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 55921660
• Molecular Formula: C21H26N4O2S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.18
• IUPAC Name: 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCN(CC(=O)N3CCc4sccc4C3)CC2)nc1
• InChI: InChI=1S/C21H26N4O2S/c1-15-2-3-19(22-12-15)23-21(27)16-4-8-24(9-5-16)14-20(26)25-10-6-18-17(13-25)7-11-28-18/h2-3,7,11-12,16H,4-6,8-10,13-14H2,1H3,(H,22,23,27)
• InChIKey: FHODOOILZTYGII-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The IUPAC name of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55921660) is 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(CC(=O)N3CCc4sccc4C3)CC2)nc1.

What is the InChIKey of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

The InChIKey is FHODOOILZTYGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-2-3-19(22-12-15)23-21(27)16-4-8-24(9-5-16)14-20(26)25-10-6-18-17(13-25)7-11-28-18/h2-3,7,11-12,16H,4-6,8-10,13-14H2,1H3,(H,22,23,27).

What are the key properties of 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?

1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55921660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).