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

C12H19N3O3 — CID 60667552

IUPAC1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H19N3O3/c1-13-6-8-14(9-7-13)10(16)4-5-15-11(17)2-3-12(15)18/h2-9H2,1H3
InChIKeyAXCDYGZJYLMYHT-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.70
Rot. Bonds3

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

1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 60667552) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
PubChem CID60667552
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
SMILESCN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1
InChIInChI=1S/C12H19N3O3/c1-13-6-8-14(9-7-13)10(16)4-5-15-11(17)2-3-12(15)18/h2-9H2,1H3
InChIKeyAXCDYGZJYLMYHT-UHFFFAOYSA-N
XLogP-0.70
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 43416050
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
1-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 120817801
4-[[4-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile
CID 18111020
2-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzo[de]isoquinoline-1,3-dione
CID 2877226
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 62897036
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
1-[3-oxo-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 47025565
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017206

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione (CID 60667552) is 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is CN1CCN(C(=O)CCN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is AXCDYGZJYLMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-13-6-8-14(9-7-13)10(16)4-5-15-11(17)2-3-12(15)18/h2-9H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 60667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).