2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide

C18H27N3O2S — CID 102556105

About 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide

2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide (PubChem CID 102556105) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide
• PubChem CID: 102556105
• Molecular Formula: C18H27N3O2S
• Molecular Weight: 349.50 g/mol
• Exact Mass: 349.18
• IUPAC Name: 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide
• SMILES: CCC1c2ccsc2CCN1C(=O)CN1CCC(CC(N)=O)CC1
• InChI: InChI=1S/C18H27N3O2S/c1-2-15-14-6-10-24-16(14)5-9-21(15)18(23)12-20-7-3-13(4-8-20)11-17(19)22/h6,10,13,15H,2-5,7-9,11-12H2,1H3,(H2,19,22)
• InChIKey: SBLAOLBZPZTVMX-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 66.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.50
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide?

The IUPAC name of 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide (CID 102556105) is 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide.

What is the SMILES notation for 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide?

The canonical SMILES for 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide is CCC1c2ccsc2CCN1C(=O)CN1CCC(CC(N)=O)CC1.

What is the InChIKey of 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide?

The InChIKey is SBLAOLBZPZTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-2-15-14-6-10-24-16(14)5-9-21(15)18(23)12-20-7-3-13(4-8-20)11-17(19)22/h6,10,13,15H,2-5,7-9,11-12H2,1H3,(H2,19,22).

What are the key properties of 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide?

2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 102556105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).