4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione

C14H13N3O4 — CID 175848526

IUPAC4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione
SMILES[2H]c1cc(NC)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4/c1-15-7-2-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h2-3,6,10,15H,4-5H2,1H3,(H,16,18,19)/i3D
InChIKeyANWNNDZLXKBUIN-WFVSFCRTSA-N
MW288.28 g/mol
LogP0.13
Rot. Bonds2

About 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione

4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione (PubChem CID 175848526) has the molecular formula C14H13N3O4 and a molecular weight of 288.28 g/mol. Its IUPAC name is 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione
PubChem CID175848526
Molecular FormulaC14H13N3O4
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione
SMILES[2H]c1cc(NC)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4/c1-15-7-2-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h2-3,6,10,15H,4-5H2,1H3,(H,16,18,19)/i3D
InChIKeyANWNNDZLXKBUIN-WFVSFCRTSA-N
XLogP0.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.13
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

2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(methylamino)isoindole-1,3-dione
CID 167088360
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
2-(2,6-dioxopiperidin-3-yl)-6-methyl-6,7-dihydro-5H-cyclopenta[f]isoindole-1,3-dione
CID 170402784
7-(2,6-dioxopiperidin-3-yl)-3a,4,10,10a-tetrahydroisoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 172549870
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione?
The IUPAC name of 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione (CID 175848526) is 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione.
What is the SMILES notation for 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione?
The canonical SMILES for 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione is [2H]c1cc(NC)cc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione?
The InChIKey is ANWNNDZLXKBUIN-WFVSFCRTSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-15-7-2-3-8-9(6-7)14(21)17(13(8)20)10-4-5-11(18)16-12(10)19/h2-3,6,10,15H,4-5H2,1H3,(H,16,18,19)/i3D.
What are the key properties of 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione?
4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione has a molecular weight of 288.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-2-(2,6-dioxopiperidin-3-yl)-6-(methylamino)isoindole-1,3-dione is sourced from PubChem (CID 175848526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).