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

C11H20N4O2 — CID 2856451

IUPAC1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(N(C)C)C2=O)CC1
InChIInChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3
InChIKeyNNNZIRJXPXJRPZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.16
Rot. Bonds2

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

1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2856451) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2856451
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(N(C)C)C2=O)CC1
InChIInChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3
InChIKeyNNNZIRJXPXJRPZ-UHFFFAOYSA-N
XLogP-1.16
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2856451) is 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is CN1CCN(C2CC(=O)N(N(C)C)C2=O)CC1.
What is the InChIKey of 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is NNNZIRJXPXJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-12(2)15-10(16)8-9(11(15)17)14-6-4-13(3)5-7-14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 240.31 g/mol, XLogP of -1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2856451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).