2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

C25H32N4O3 — CID 86957677

About 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 86957677) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
• PubChem CID: 86957677
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
• SMILES: Cc1nn(C)c(C)c1CN1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1
• InChI: InChI=1S/C25H32N4O3/c1-17-22(18(2)27(3)26-17)15-28-10-12-29(13-11-28)25(30)16-31-19-8-9-24-21(14-19)20-6-4-5-7-23(20)32-24/h8-9,14H,4-7,10-13,15-16H2,1-3H3
• InChIKey: DQWRQYAZEMODBJ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 63.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 86957677) is 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is Cc1nn(C)c(C)c1CN1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)CC1.

What is the InChIKey of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?

The InChIKey is DQWRQYAZEMODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-22(18(2)27(3)26-17)15-28-10-12-29(13-11-28)25(30)16-31-19-8-9-24-21(14-19)20-6-4-5-7-23(20)32-24/h8-9,14H,4-7,10-13,15-16H2,1-3H3.

What are the key properties of 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?

2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 436.56 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 86957677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).