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

C17H23N3O3 — CID 2950914

IUPAC1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCN(c3cccc(OC)c3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-20-16(21)12-15(17(20)22)19-9-7-18(8-10-19)13-5-4-6-14(11-13)23-2/h4-6,11,15H,3,7-10,12H2,1-2H3
InChIKeyYKACTZMSSLXTAJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.96
Rot. Bonds4

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

1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2950914) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2950914
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(N2CCN(c3cccc(OC)c3)CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-3-20-16(21)12-15(17(20)22)19-9-7-18(8-10-19)13-5-4-6-14(11-13)23-2/h4-6,11,15H,3,7-10,12H2,1-2H3
InChIKeyYKACTZMSSLXTAJ-UHFFFAOYSA-N
XLogP0.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.96
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-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2950914) is 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is CCN1C(=O)CC(N2CCN(c3cccc(OC)c3)CC2)C1=O.
What is the InChIKey of 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is YKACTZMSSLXTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-20-16(21)12-15(17(20)22)19-9-7-18(8-10-19)13-5-4-6-14(11-13)23-2/h4-6,11,15H,3,7-10,12H2,1-2H3.
What are the key properties of 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2950914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).