1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone

C21H26N4O2 — CID 122281154

About 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone (PubChem CID 122281154) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
• PubChem CID: 122281154
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
• SMILES: Cc1ccc(C)c(OCC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)c1
• InChI: InChI=1S/C21H26N4O2/c1-15-6-7-16(2)19(12-15)27-14-21(26)25-10-8-24(9-11-25)20-13-17-4-3-5-18(17)22-23-20/h6-7,12-13H,3-5,8-11,14H2,1-2H3
• InChIKey: PNLJLYLETZTCCO-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone?

The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone (CID 122281154) is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone.

What is the SMILES notation for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone?

The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone is Cc1ccc(C)c(OCC(=O)N2CCN(c3cc4c(nn3)CCC4)CC2)c1.

What is the InChIKey of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone?

The InChIKey is PNLJLYLETZTCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-6-7-16(2)19(12-15)27-14-21(26)25-10-8-24(9-11-25)20-13-17-4-3-5-18(17)22-23-20/h6-7,12-13H,3-5,8-11,14H2,1-2H3.

What are the key properties of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone?

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone has a molecular weight of 366.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone is sourced from PubChem (CID 122281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).