3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione

C23H26N4O3 — CID 163259069

IUPAC3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)N1CCN(c2ccc3c4c(cccc24)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H26N4O3/c1-14(2)25-10-12-26(13-11-25)17-7-6-16-21-15(17)4-3-5-18(21)27(23(16)30)19-8-9-20(28)24-22(19)29/h3-7,14,19H,8-13H2,1-2H3,(H,24,28,29)
InChIKeyTWJLTWZJXMCMJN-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.14
Rot. Bonds3

About 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione

3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 163259069) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID163259069
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione
SMILESCC(C)N1CCN(c2ccc3c4c(cccc24)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C23H26N4O3/c1-14(2)25-10-12-26(13-11-25)17-7-6-16-21-15(17)4-3-5-18(21)27(23(16)30)19-8-9-20(28)24-22(19)29/h3-7,14,19H,8-13H2,1-2H3,(H,24,28,29)
InChIKeyTWJLTWZJXMCMJN-UHFFFAOYSA-N
XLogP2.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(4-acetyl-1,4-diazepan-1-yl)-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258445
3-(2-oxo-5-sulfanylbenzo[cd]indol-1-yl)piperidine-2,6-dione
CID 163258587
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 163269333
1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonitrile
CID 155194697
3-[5-[(1-chloroazetidin-3-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 169102169
3-[5-[methyl(2,2,2-trifluoroethyl)amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258558
3-(4-methyl-9-oxo-4,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1,6,8(15),11,13-pentaen-10-yl)piperidine-2,6-dione
CID 170415929
3-[5-(1-benzylpyrrolidin-3-yl)-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163258328
3-[2-oxo-6-(pyridin-2-ylamino)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710559
3-[5-[[(2-fluoro-5-methylphenyl)methylamino]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259378
3-[2-oxo-6-(2H-triazol-4-ylsulfanyl)benzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155710450
4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]benzaldehyde
CID 155195102

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione (CID 163259069) is 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione is CC(C)N1CCN(c2ccc3c4c(cccc24)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is TWJLTWZJXMCMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(2)25-10-12-26(13-11-25)17-7-6-16-21-15(17)4-3-5-18(21)27(23(16)30)19-8-9-20(28)24-22(19)29/h3-7,14,19H,8-13H2,1-2H3,(H,24,28,29).
What are the key properties of 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione?
3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 406.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-5-(4-propan-2-ylpiperazin-1-yl)benzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 163259069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).