2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

C21H29ClN4O2 — CID 120877319

About 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120877319) has the molecular formula C21H29ClN4O2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
• PubChem CID: 120877319
• Molecular Formula: C21H29ClN4O2
• Molecular Weight: 404.94 g/mol
• Exact Mass: 404.20
• IUPAC Name: 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
• SMILES: COc1ccc2c(c1)CCCC2CC(=O)N1CCNCC1c1nccn1C.Cl
• InChI: InChI=1S/C21H28N4O2.ClH/c1-24-10-9-23-21(24)19-14-22-8-11-25(19)20(26)13-16-5-3-4-15-12-17(27-2)6-7-18(15)16;/h6-7,9-10,12,16,19,22H,3-5,8,11,13-14H2,1-2H3;1H
• InChIKey: GZABUJYHLQUYGC-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 59.39 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	404.94
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?

The IUPAC name of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 120877319) is 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

What is the SMILES notation for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?

The canonical SMILES for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is COc1ccc2c(c1)CCCC2CC(=O)N1CCNCC1c1nccn1C.Cl.

What is the InChIKey of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?

The InChIKey is GZABUJYHLQUYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2.ClH/c1-24-10-9-23-21(24)19-14-22-8-11-25(19)20(26)13-16-5-3-4-15-12-17(27-2)6-7-18(15)16;/h6-7,9-10,12,16,19,22H,3-5,8,11,13-14H2,1-2H3;1H.

What are the key properties of 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 404.94 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120877319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).