3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

C18H23N3O2 — CID 167293608

IUPAC3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(C4CCNCC4)cc3C2)C(=O)N1
InChIInChI=1S/C18H23N3O2/c22-17-4-3-16(18(23)20-17)21-10-14-2-1-13(9-15(14)11-21)12-5-7-19-8-6-12/h1-2,9,12,16,19H,3-8,10-11H2,(H,20,22,23)
InChIKeyGBADKQGXSPLYEG-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.27
Rot. Bonds2

About 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione

3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (PubChem CID 167293608) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
PubChem CID167293608
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(C4CCNCC4)cc3C2)C(=O)N1
InChIInChI=1S/C18H23N3O2/c22-17-4-3-16(18(23)20-17)21-10-14-2-1-13(9-15(14)11-21)12-5-7-19-8-6-12/h1-2,9,12,16,19H,3-8,10-11H2,(H,20,22,23)
InChIKeyGBADKQGXSPLYEG-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(aminomethyl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 171058791
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
3-[5-(3,8-diazabicyclo[3.2.1]octan-8-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158027
3-[5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 159474291
3-[5-[[(3R)-piperidin-3-yl]amino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175880586
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170158044
3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
CID 155923300
3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione
CID 178017573
3-[3-oxo-6-[1-(piperidine-4-carbonyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172590709
3-[5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 166069947
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dihydroisoindol-5-yl]piperidine-4-carbaldehyde
CID 176695485
3-[6-(7-azaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178161571

Frequently Asked Questions

What is the IUPAC name of 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione (CID 167293608) is 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(C4CCNCC4)cc3C2)C(=O)N1.
What is the InChIKey of 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
The InChIKey is GBADKQGXSPLYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-4-3-16(18(23)20-17)21-10-14-2-1-13(9-15(14)11-21)12-5-7-19-8-6-12/h1-2,9,12,16,19H,3-8,10-11H2,(H,20,22,23).
What are the key properties of 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione?
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione has a molecular weight of 313.40 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167293608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).