2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione

C22H23N3O3 — CID 110343473

IUPAC2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
SMILESCCN1CCN(C(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C22H23N3O3/c1-2-23-11-13-24(14-12-23)20(26)15-16-7-9-17(10-8-16)25-21(27)18-5-3-4-6-19(18)22(25)28/h3-10H,2,11-15H2,1H3
InChIKeyMCIHFXQDMWNXNA-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione

2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione (PubChem CID 110343473) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
PubChem CID110343473
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
SMILESCCN1CCN(C(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1
InChIInChI=1S/C22H23N3O3/c1-2-23-11-13-24(14-12-23)20(26)15-16-7-9-17(10-8-16)25-21(27)18-5-3-4-6-19(18)22(25)28/h3-10H,2,11-15H2,1H3
InChIKeyMCIHFXQDMWNXNA-UHFFFAOYSA-N
XLogP2.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione
CID 110343489
1-(4-ethylpiperazin-1-yl)-2-(4-phenoxyphenyl)ethanone
CID 110768049
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
1-(4-ethylpiperazin-1-yl)-2-(4-methylsulfanylphenyl)ethanone
CID 110771210
2-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 37404080
2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]isoindole-1,3-dione
CID 168517457
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
2-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 108568401
butan-2-yl 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]acetate
CID 54518585
2-[4-(ethylaminomethyl)phenyl]isoindole-1,3-dione
CID 106913246
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione (CID 110343473) is 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione is CCN1CCN(C(=O)Cc2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione?
The InChIKey is MCIHFXQDMWNXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-23-11-13-24(14-12-23)20(26)15-16-7-9-17(10-8-16)25-21(27)18-5-3-4-6-19(18)22(25)28/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione?
2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione has a molecular weight of 377.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 110343473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).