2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione

C26H26N4O4 — CID 167740197

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CCC5(CC4)CNc4ccccc45)c3C2=O)C(=O)N1
InChIInChI=1S/C26H26N4O4/c31-21-9-8-20(23(32)28-21)30-24(33)17-5-3-4-16(22(17)25(30)34)14-29-12-10-26(11-13-29)15-27-19-7-2-1-6-18(19)26/h1-7,20,27H,8-15H2,(H,28,31,32)
InChIKeyXQEDCDXMCDMMPK-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.05
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione (PubChem CID 167740197) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione
PubChem CID167740197
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CN4CCC5(CC4)CNc4ccccc45)c3C2=O)C(=O)N1
InChIInChI=1S/C26H26N4O4/c31-21-9-8-20(23(32)28-21)30-24(33)17-5-3-4-16(22(17)25(30)34)14-29-12-10-26(11-13-29)15-27-19-7-2-1-6-18(19)26/h1-7,20,27H,8-15H2,(H,28,31,32)
InChIKeyXQEDCDXMCDMMPK-UHFFFAOYSA-N
XLogP2.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-[(4-amino-4-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727689
4-[[4-amino-4-(difluoromethyl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716787
4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171829105
4-[[4-(3-bromopropyl)piperazin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870834
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-[[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720121
4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723681
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(2-piperidin-4-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167718533
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 167738619
4-[[3-(1-aminocyclopropyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727847
4-[(3-amino-3-methylazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742001

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione (CID 167740197) is 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CN4CCC5(CC4)CNc4ccccc45)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione?
The InChIKey is XQEDCDXMCDMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-21-9-8-20(23(32)28-21)30-24(33)17-5-3-4-16(22(17)25(30)34)14-29-12-10-26(11-13-29)15-27-19-7-2-1-6-18(19)26/h1-7,20,27H,8-15H2,(H,28,31,32).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione has a molecular weight of 458.52 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 167740197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).