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

C21H23N3O2 — CID 2877140

IUPAC1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)15-19(21(24)26)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3
InChIKeyXZPQCCSHILVLAP-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.45
Rot. Bonds3

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

1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2877140) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2877140
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)15-19(21(24)26)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3
InChIKeyXZPQCCSHILVLAP-UHFFFAOYSA-N
XLogP2.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2877140) is 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is XZPQCCSHILVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-6-5-9-18(14-16)24-20(25)15-19(21(24)26)23-12-10-22(11-13-23)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione?
1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 349.43 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).