3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C19H24N4O2 — CID 175906629

IUPAC3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CC5CC4CN5)c3C2)C(=O)N1
InChIInChI=1S/C19H24N4O2/c24-18-5-4-17(19(25)21-18)23-9-13-3-1-2-12(16(13)11-23)8-22-10-14-6-15(22)7-20-14/h1-3,14-15,17,20H,4-11H2,(H,21,24,25)
InChIKeyGSVABGIUALYYJA-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.35
Rot. Bonds3

About 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 175906629) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID175906629
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cccc(CN4CC5CC4CN5)c3C2)C(=O)N1
InChIInChI=1S/C19H24N4O2/c24-18-5-4-17(19(25)21-18)23-9-13-3-1-2-12(16(13)11-23)8-22-10-14-6-15(22)7-20-14/h1-3,14-15,17,20H,4-11H2,(H,21,24,25)
InChIKeyGSVABGIUALYYJA-UHFFFAOYSA-N
XLogP0.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,6-diazabicyclo[3.1.1]heptan-6-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175906632
3-(4-propan-2-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 130335320
3-[7-(2,5-diazabicyclo[4.1.1]octan-2-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723257
3-[4-(2,5-diazabicyclo[2.2.2]octan-2-yl)-7-fluoro-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880248
3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-[4-(3-aminopropoxy)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175855337
3-[4-[[4-(chloromethyl)phenyl]methylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 151513636
3-[4-[[(2S,3R)-2,3-dimethylpiperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734754
3-[7-[(4-amino-2-methylpyrrolidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716901
3-[7-[[(2S,4S)-4-amino-2-phenylpyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730641
3-[4-[[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]methylsulfanyl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 167062990
2-(2,6-dioxopiperidin-3-yl)-N-(phenylcarbamoyl)-1,3-dihydroisoindole-4-carboxamide
CID 67229967

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 175906629) is 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cccc(CN4CC5CC4CN5)c3C2)C(=O)N1.
What is the InChIKey of 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GSVABGIUALYYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-5-4-17(19(25)21-18)23-9-13-3-1-2-12(16(13)11-23)8-22-10-14-6-15(22)7-20-14/h1-3,14-15,17,20H,4-11H2,(H,21,24,25).
What are the key properties of 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 340.43 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 175906629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).