1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone

C19H20N4O3 — CID 122281135

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

1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 122281135) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
• PubChem CID: 122281135
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc3c(nn2)CCC3)CC1
• InChI: InChI=1S/C19H20N4O3/c24-19(14-4-5-16-17(10-14)26-12-25-16)23-8-6-22(7-9-23)18-11-13-2-1-3-15(13)20-21-18/h4-5,10-11H,1-3,6-9,12H2
• InChIKey: QIPJWMZRYKUSLC-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 67.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone (CID 122281135) is 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone.

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

The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(c2cc3c(nn2)CCC3)CC1.

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

The InChIKey is QIPJWMZRYKUSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(14-4-5-16-17(10-14)26-12-25-16)23-8-6-22(7-9-23)18-11-13-2-1-3-15(13)20-21-18/h4-5,10-11H,1-3,6-9,12H2.

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

1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 352.39 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122281135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).