5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C21H24N4O4 — CID 167721268

IUPAC5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC5(CCCCN5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H24N4O4/c26-17-6-5-16(18(27)23-17)25-19(28)14-4-3-13(9-15(14)20(25)29)10-24-11-21(12-24)7-1-2-8-22-21/h3-4,9,16,22H,1-2,5-8,10-12H2,(H,23,26,27)
InChIKeyQNBKUPCLYBGJBC-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.42
Rot. Bonds3

About 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167721268) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167721268
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN4CC5(CCCCN5)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H24N4O4/c26-17-6-5-16(18(27)23-17)25-19(28)14-4-3-13(9-15(14)20(25)29)10-24-11-21(12-24)7-1-2-8-22-21/h3-4,9,16,22H,1-2,5-8,10-12H2,(H,23,26,27)
InChIKeyQNBKUPCLYBGJBC-UHFFFAOYSA-N
XLogP0.42
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.42
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

2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,6-diazaspiro[3.3]heptane-2-carbaldehyde
CID 170978784
5-(2,8-diazaspiro[4.5]decan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740032
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-[(6,6-dimethyl-1,4-diazepan-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724349
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
5-[(9-amino-2-azaspiro[4.4]nonan-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726347
2-(2,6-dioxopiperidin-3-yl)-5-[(3-piperazin-1-ylazetidin-1-yl)methyl]isoindole-1,3-dione
CID 167720853
4-(1,8-diazaspiro[5.5]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724381
2-(2,6-dioxopiperidin-3-yl)-5-[[3-(piperazin-1-ylmethyl)azetidin-1-yl]methyl]isoindole-1,3-dione
CID 167730880
2-(2,6-dioxopiperidin-3-yl)-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167736784
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167721268) is 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN4CC5(CCCCN5)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is QNBKUPCLYBGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-17-6-5-16(18(27)23-17)25-19(28)14-4-3-13(9-15(14)20(25)29)10-24-11-21(12-24)7-1-2-8-22-21/h3-4,9,16,22H,1-2,5-8,10-12H2,(H,23,26,27).
What are the key properties of 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 396.45 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-diazaspiro[3.5]nonan-2-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167721268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).