1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride

C18H26ClN3O2S — CID 121154421

About 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride

1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride (PubChem CID 121154421) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
• PubChem CID: 121154421
• Molecular Formula: C18H26ClN3O2S
• Molecular Weight: 383.95 g/mol
• Exact Mass: 383.14
• IUPAC Name: 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
• SMILES: CC(=O)N1CCC(C(=O)N2CC(N3CCc4sccc4C3)C2)CC1.Cl
• InChI: InChI=1S/C18H25N3O2S.ClH/c1-13(22)19-6-2-14(3-7-19)18(23)21-11-16(12-21)20-8-4-17-15(10-20)5-9-24-17;/h5,9,14,16H,2-4,6-8,10-12H2,1H3;1H
• InChIKey: FXZMKVPKEBPDNR-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 43.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.95
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?

The IUPAC name of 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride (CID 121154421) is 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride.

What is the SMILES notation for 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?

The canonical SMILES for 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCC(C(=O)N2CC(N3CCc4sccc4C3)C2)CC1.Cl.

What is the InChIKey of 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?

The InChIKey is FXZMKVPKEBPDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-13(22)19-6-2-14(3-7-19)18(23)21-11-16(12-21)20-8-4-17-15(10-20)5-9-24-17;/h5,9,14,16H,2-4,6-8,10-12H2,1H3;1H.

What are the key properties of 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride?

1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 121154421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).