2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide

C20H30N4O3S — CID 55874753

About 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide

2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 55874753) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
• PubChem CID: 55874753
• Molecular Formula: C20H30N4O3S
• Molecular Weight: 406.55 g/mol
• Exact Mass: 406.20
• IUPAC Name: 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide
• SMILES: CCCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1
• InChI: InChI=1S/C20H30N4O3S/c1-2-7-21-18(25)15-22-9-11-23(12-10-22)19(26)3-4-20(27)24-8-5-17-16(14-24)6-13-28-17/h6,13H,2-5,7-12,14-15H2,1H3,(H,21,25)
• InChIKey: DJMRYECATNRPIQ-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.55
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide?

The IUPAC name of 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide (CID 55874753) is 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide.

What is the SMILES notation for 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide?

The canonical SMILES for 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(=O)CCC(=O)N2CCc3sccc3C2)CC1.

What is the InChIKey of 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide?

The InChIKey is DJMRYECATNRPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-2-7-21-18(25)15-22-9-11-23(12-10-22)19(26)3-4-20(27)24-8-5-17-16(14-24)6-13-28-17/h6,13H,2-5,7-12,14-15H2,1H3,(H,21,25).

What are the key properties of 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide?

2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 406.55 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 55874753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).