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

C24H26N4O2 — CID 122281303

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

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one (PubChem CID 122281303) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one.

Molecular Properties

• Compound Name: 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one
• PubChem CID: 122281303
• Molecular Formula: C24H26N4O2
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.21
• IUPAC Name: 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one
• SMILES: CC(Oc1cccc2ccccc12)C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
• InChI: InChI=1S/C24H26N4O2/c1-17(30-22-11-5-7-18-6-2-3-9-20(18)22)24(29)28-14-12-27(13-15-28)23-16-19-8-4-10-21(19)25-26-23/h2-3,5-7,9,11,16-17H,4,8,10,12-15H2,1H3
• InChIKey: RYRAGLZEXGQKJE-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.23
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-naphthalen-1-yloxypropan-1-one?

The IUPAC name of 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one (CID 122281303) is 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one.

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

The canonical SMILES for 1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one is CC(Oc1cccc2ccccc12)C(=O)N1CCN(c2cc3c(nn2)CCC3)CC1.

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

The InChIKey is RYRAGLZEXGQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17(30-22-11-5-7-18-6-2-3-9-20(18)22)24(29)28-14-12-27(13-15-28)23-16-19-8-4-10-21(19)25-26-23/h2-3,5-7,9,11,16-17H,4,8,10,12-15H2,1H3.

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

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-yloxypropan-1-one has a molecular weight of 402.50 g/mol, XLogP of 3.23, 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-naphthalen-1-yloxypropan-1-one is sourced from PubChem (CID 122281303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).