2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

C23H27N3O3 — CID 33055181

IUPAC2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCCOc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-2-29-21-11-6-5-10-20(21)25-16-14-24(15-17-25)12-7-13-26-22(27)18-8-3-4-9-19(18)23(26)28/h3-6,8-11H,2,7,12-17H2,1H3
InChIKeyQLTGNVPYQPQTFM-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.89
Rot. Bonds7

About 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 33055181) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID33055181
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCCOc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C23H27N3O3/c1-2-29-21-11-6-5-10-20(21)25-16-14-24(15-17-25)12-7-13-26-22(27)18-8-3-4-9-19(18)23(26)28/h3-6,8-11H,2,7,12-17H2,1H3
InChIKeyQLTGNVPYQPQTFM-UHFFFAOYSA-N
XLogP2.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647
2-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 4810972
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 9415450
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
3-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butyl]-9,9-dimethyl-7-propyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 59144729
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
(5E)-3-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 118050342
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
CID 69440985

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 33055181) is 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is CCOc1ccccc1N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is QLTGNVPYQPQTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-29-21-11-6-5-10-20(21)25-16-14-24(15-17-25)12-7-13-26-22(27)18-8-3-4-9-19(18)23(26)28/h3-6,8-11H,2,7,12-17H2,1H3.
What are the key properties of 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 393.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 33055181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).