2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione

C24H27N3O4 — CID 11661747

IUPAC2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccccc1N1CCN(CC(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H27N3O4/c1-17(2)31-22-10-6-5-9-21(22)26-13-11-25(12-14-26)15-18(28)16-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-10,17H,11-16H2,1-2H3
InChIKeyPLAYAAMBXOOQDP-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.46
Rot. Bonds7

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

2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 11661747) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
PubChem CID11661747
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
SMILESCC(C)Oc1ccccc1N1CCN(CC(=O)CN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H27N3O4/c1-17(2)31-22-10-6-5-9-21(22)26-13-11-25(12-14-26)15-18(28)16-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-10,17H,11-16H2,1-2H3
InChIKeyPLAYAAMBXOOQDP-UHFFFAOYSA-N
XLogP2.46
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2-oxopiperidin-1-yl)-N-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]acetamide;hydroiodide
CID 10119252
3,4-dimethyl-1-[2-oxo-3-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrole-2,5-dione
CID 11509762
1-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]but-2-ynyl]piperidine-2,6-dione;hydrochloride
CID 11604156
1-[3-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-dione
CID 10047950
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10792898
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
4-(2-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103270
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
12-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-12-azatricyclo[4.4.3.01,6]tridec-3-ene-11,13-dione;hydrochloride
CID 11670583
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
CID 10836245

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione (CID 11661747) is 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is CC(C)Oc1ccccc1N1CCN(CC(=O)CN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is PLAYAAMBXOOQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17(2)31-22-10-6-5-9-21(22)26-13-11-25(12-14-26)15-18(28)16-27-23(29)19-7-3-4-8-20(19)24(27)30/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione?
2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 421.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 11661747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).