3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

C17H23N3O3 — CID 43826728

IUPAC3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(O)cc3C)C2=O)CC1
InChIInChI=1S/C17H23N3O3/c1-3-18-6-8-19(9-7-18)15-11-16(22)20(17(15)23)14-5-4-13(21)10-12(14)2/h4-5,10,15,21H,3,6-9,11H2,1-2H3
InChIKeyNXMNFKWZMGJEOD-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.97
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione

3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 43826728) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID43826728
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(O)cc3C)C2=O)CC1
InChIInChI=1S/C17H23N3O3/c1-3-18-6-8-19(9-7-18)15-11-16(22)20(17(15)23)14-5-4-13(21)10-12(14)2/h4-5,10,15,21H,3,6-9,11H2,1-2H3
InChIKeyNXMNFKWZMGJEOD-UHFFFAOYSA-N
XLogP0.97
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.97
H-Bond Donors ≤ 51
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 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione (CID 43826728) is 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is CCN1CCN(C2CC(=O)N(c3ccc(O)cc3C)C2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is NXMNFKWZMGJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-18-6-8-19(9-7-18)15-11-16(22)20(17(15)23)14-5-4-13(21)10-12(14)2/h4-5,10,15,21H,3,6-9,11H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione?
3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 317.39 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43826728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).