2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

C14H22N4O3 — CID 79926521

About 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 79926521) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

• Compound Name: 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• PubChem CID: 79926521
• Molecular Formula: C14H22N4O3
• Molecular Weight: 294.35 g/mol
• Exact Mass: 294.17
• IUPAC Name: 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
• SMILES: O=C(CCN1CC(=O)N2CCCC2C1=O)N1CCNCC1
• InChI: InChI=1S/C14H22N4O3/c19-12(16-8-4-15-5-9-16)3-7-17-10-13(20)18-6-1-2-11(18)14(17)21/h11,15H,1-10H2
• InChIKey: PNKGGCSTHNLLCD-UHFFFAOYSA-N
• XLogP: -1.36
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.35
LogP ≤ 5	-1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 79926521) is 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione.

What is the SMILES notation for 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The canonical SMILES for 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is O=C(CCN1CC(=O)N2CCCC2C1=O)N1CCNCC1.

What is the InChIKey of 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

The InChIKey is PNKGGCSTHNLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-12(16-8-4-15-5-9-16)3-7-17-10-13(20)18-6-1-2-11(18)14(17)21/h11,15H,1-10H2.

What are the key properties of 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione?

2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 294.35 g/mol, XLogP of -1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79926521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).