3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

C9H15N3O2 — CID 6458563

IUPAC3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H15N3O2/c1-11-2-4-12(5-3-11)7-6-8(13)10-9(7)14/h7H,2-6H2,1H3,(H,10,13,14)
InChIKeyOZROCRXWRBNMDI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.35
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione

3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 6458563) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID6458563
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C9H15N3O2/c1-11-2-4-12(5-3-11)7-6-8(13)10-9(7)14/h7H,2-6H2,1H3,(H,10,13,14)
InChIKeyOZROCRXWRBNMDI-UHFFFAOYSA-N
XLogP-1.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 6458563) is 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1CCN(C2CC(=O)NC2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is OZROCRXWRBNMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11-2-4-12(5-3-11)7-6-8(13)10-9(7)14/h7H,2-6H2,1H3,(H,10,13,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 197.24 g/mol, XLogP of -1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6458563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).