3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H24N4O5 — CID 170628756

IUPAC3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(N4CCN(C5CCOCC5)C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H24N4O5/c26-18-4-3-17(19(27)22-18)25-12-13-11-15(1-2-16(13)20(25)28)24-8-7-23(21(24)29)14-5-9-30-10-6-14/h1-2,11,14,17H,3-10,12H2,(H,22,26,27)
InChIKeyOEACAKZPZQYLTI-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.87
Rot. Bonds3

About 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170628756) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170628756
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(N4CCN(C5CCOCC5)C4=O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H24N4O5/c26-18-4-3-17(19(27)22-18)25-12-13-11-15(1-2-16(13)20(25)28)24-8-7-23(21(24)29)14-5-9-30-10-6-14/h1-2,11,14,17H,3-10,12H2,(H,22,26,27)
InChIKeyOEACAKZPZQYLTI-UHFFFAOYSA-N
XLogP0.87
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[6-(3-cyclopropyl-2-oxoimidazolidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628831
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628727
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-(4-aminopiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579838
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[6-[4-(oxan-4-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167976924
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-[6-[4-(morpholin-4-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167799972
3-[6-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxalin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296278
3-[3-oxo-6-(4-piperidin-4-ylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135216805
(3S)-3-[6-(4-tert-butylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176841784

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170628756) is 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(N4CCN(C5CCOCC5)C4=O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is OEACAKZPZQYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c26-18-4-3-17(19(27)22-18)25-12-13-11-15(1-2-16(13)20(25)28)24-8-7-23(21(24)29)14-5-9-30-10-6-14/h1-2,11,14,17H,3-10,12H2,(H,22,26,27).
What are the key properties of 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 412.45 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(oxan-4-yl)-2-oxoimidazolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170628756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).