1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione

C21H24N4O2 — CID 3699732

IUPAC1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-2-16-6-8-17(9-7-16)25-20(26)15-18(21(25)27)23-11-13-24(14-12-23)19-5-3-4-10-22-19/h3-10,18H,2,11-15H2,1H3
InChIKeyYKSSCFGRBCPBAI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 3699732) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID3699732
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCc1ccc(N2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1
InChIInChI=1S/C21H24N4O2/c1-2-16-6-8-17(9-7-16)25-20(26)15-18(21(25)27)23-11-13-24(14-12-23)19-5-3-4-10-22-19/h3-10,18H,2,11-15H2,1H3
InChIKeyYKSSCFGRBCPBAI-UHFFFAOYSA-N
XLogP2.10
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.10
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-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 3699732) is 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is CCc1ccc(N2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is YKSSCFGRBCPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-16-6-8-17(9-7-16)25-20(26)15-18(21(25)27)23-11-13-24(14-12-23)19-5-3-4-10-22-19/h3-10,18H,2,11-15H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 364.45 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3699732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).