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

C23H27N3O2 — CID 42631193

IUPAC3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H27N3O2/c1-18-7-5-6-10-20(18)21-17-22(27)26(23(21)28)16-13-24-11-14-25(15-12-24)19-8-3-2-4-9-19/h2-10,21H,11-17H2,1H3
InChIKeyFICDGEILCFQCQD-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.66
Rot. Bonds5

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

3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 42631193) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID42631193
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C23H27N3O2/c1-18-7-5-6-10-20(18)21-17-22(27)26(23(21)28)16-13-24-11-14-25(15-12-24)19-8-3-2-4-9-19/h2-10,21H,11-17H2,1H3
InChIKeyFICDGEILCFQCQD-UHFFFAOYSA-N
XLogP2.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.66
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 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 42631193) is 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is Cc1ccccc1C1CC(=O)N(CCN2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is FICDGEILCFQCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-7-5-6-10-20(18)21-17-22(27)26(23(21)28)16-13-24-11-14-25(15-12-24)19-8-3-2-4-9-19/h2-10,21H,11-17H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 377.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42631193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).