3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C15H19N3O3 — CID 660277

IUPAC3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-11(3-5-12)17-6-8-18(9-7-17)13-10-14(19)16-15(13)20/h2-5,13H,6-10H2,1H3,(H,16,19,20)
InChIKeyDVPJJAJTEQNCGC-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.23
Rot. Bonds3

About 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 660277) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID660277
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-11(3-5-12)17-6-8-18(9-7-17)13-10-14(19)16-15(13)20/h2-5,13H,6-10H2,1H3,(H,16,19,20)
InChIKeyDVPJJAJTEQNCGC-UHFFFAOYSA-N
XLogP0.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 660277) is 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is COc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is DVPJJAJTEQNCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-4-2-11(3-5-12)17-6-8-18(9-7-17)13-10-14(19)16-15(13)20/h2-5,13H,6-10H2,1H3,(H,16,19,20).
What are the key properties of 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 289.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 660277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).