2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C23H28N4O2 — CID 122246503

About 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 122246503) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• PubChem CID: 122246503
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
• SMILES: CC(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc2c(cc1=O)CCC2
• InChI: InChI=1S/C23H28N4O2/c1-18(27-22(28)17-20-10-5-11-21(20)24-27)23(29)26-15-13-25(14-16-26)12-6-9-19-7-3-2-4-8-19/h2-4,6-9,17-18H,5,10-16H2,1H3/b9-6+
• InChIKey: SVRHPIDVFGHBMB-RMKNXTFCSA-N
• XLogP: 2.15
• TPSA: 58.44 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The IUPAC name of 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 122246503) is 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

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

The canonical SMILES for 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C(=O)N1CCN(C/C=C/c2ccccc2)CC1)n1nc2c(cc1=O)CCC2.

What is the InChIKey of 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?

The InChIKey is SVRHPIDVFGHBMB-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18(27-22(28)17-20-10-5-11-21(20)24-27)23(29)26-15-13-25(14-16-26)12-6-9-19-7-3-2-4-8-19/h2-4,6-9,17-18H,5,10-16H2,1H3/b9-6+.

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

2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 122246503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).