1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione

C21H23N3O3 — CID 2833540

IUPAC1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)24-20(25)15-19(21(24)26)23-13-11-22(12-14-23)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyIUHUZOGHNWENMW-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione

1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2833540) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2833540
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1
InChIInChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)24-20(25)15-19(21(24)26)23-13-11-22(12-14-23)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeyIUHUZOGHNWENMW-UHFFFAOYSA-N
XLogP2.15
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.15
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-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2833540) is 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is IUHUZOGHNWENMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-18-9-7-17(8-10-18)24-20(25)15-19(21(24)26)23-13-11-22(12-14-23)16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 365.43 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2833540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).