2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione

C23H25N3O3 — CID 120741479

IUPAC2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESCCc1ccc(C2CNCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-2-16-7-9-17(10-8-16)20-15-24-12-14-25(20)21(27)11-13-26-22(28)18-5-3-4-6-19(18)23(26)29/h3-10,20,24H,2,11-15H2,1H3
InChIKeyOKSXWOMRMCODQM-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.41
Rot. Bonds5

About 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione

2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (PubChem CID 120741479) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
PubChem CID120741479
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESCCc1ccc(C2CNCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-2-16-7-9-17(10-8-16)20-15-24-12-14-25(20)21(27)11-13-26-22(28)18-5-3-4-6-19(18)23(26)29/h3-10,20,24H,2,11-15H2,1H3
InChIKeyOKSXWOMRMCODQM-UHFFFAOYSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
3-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 120741684
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 120741039
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
methyl 1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperazine-2-carboxylate
CID 156850093
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(4-ethylphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120740438
5-[2-(4-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120740657
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 120740899
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (CID 120741479) is 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is CCc1ccc(C2CNCCN2C(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is OKSXWOMRMCODQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-16-7-9-17(10-8-16)20-15-24-12-14-25(20)21(27)11-13-26-22(28)18-5-3-4-6-19(18)23(26)29/h3-10,20,24H,2,11-15H2,1H3.
What are the key properties of 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 391.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 120741479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).