3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione

C25H26N4O3 — CID 171618731

IUPAC3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3(Cc4ccc(N5CCNCC5)cc4C3)c3ccccc32)C(=O)N1
InChIInChI=1S/C25H26N4O3/c30-22-8-7-21(23(31)27-22)29-20-4-2-1-3-19(20)25(24(29)32)14-16-5-6-18(13-17(16)15-25)28-11-9-26-10-12-28/h1-6,13,21,26H,7-12,14-15H2,(H,27,30,31)
InChIKeyYSVHBZFGHYDSFP-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.28
Rot. Bonds2

About 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione

3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione (PubChem CID 171618731) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
PubChem CID171618731
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3(Cc4ccc(N5CCNCC5)cc4C3)c3ccccc32)C(=O)N1
InChIInChI=1S/C25H26N4O3/c30-22-8-7-21(23(31)27-22)29-20-4-2-1-3-19(20)25(24(29)32)14-16-5-6-18(13-17(16)15-25)28-11-9-26-10-12-28/h1-6,13,21,26H,7-12,14-15H2,(H,27,30,31)
InChIKeyYSVHBZFGHYDSFP-UHFFFAOYSA-N
XLogP1.28
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-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-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
CID 171618726
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 175658749
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
CID 135273233

Frequently Asked Questions

What is the IUPAC name of 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione (CID 171618731) is 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione is O=C1CCC(N2C(=O)C3(Cc4ccc(N5CCNCC5)cc4C3)c3ccccc32)C(=O)N1.
What is the InChIKey of 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione?
The InChIKey is YSVHBZFGHYDSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-22-8-7-21(23(31)27-22)29-20-4-2-1-3-19(20)25(24(29)32)14-16-5-6-18(13-17(16)15-25)28-11-9-26-10-12-28/h1-6,13,21,26H,7-12,14-15H2,(H,27,30,31).
What are the key properties of 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione?
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione has a molecular weight of 430.51 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione is sourced from PubChem (CID 171618731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).