4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione

C14H13N3O4 — CID 140915010

IUPAC4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
SMILES[2H]C([2H])([2H])[C@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m0/s1/i1D3
InChIKeyVZTDWPXKIYLLAT-FVELLDLOSA-N
MW290.29 g/mol
LogP0.06
Rot. Bonds2

About 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione

4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione (PubChem CID 140915010) has the molecular formula C14H13N3O4 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
PubChem CID140915010
Molecular FormulaC14H13N3O4
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
SMILES[2H]C([2H])([2H])[C@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O
InChIInChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m0/s1/i1D3
InChIKeyVZTDWPXKIYLLAT-FVELLDLOSA-N
XLogP0.06
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
4-amino-2-(3-benzyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166923781
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 123881098
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
4-amino-2-[3-(4-aminobutyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;hydrochloride
CID 67997624
4-amino-2-(1-methylcyclopentyl)isoindole-1,3-dione
CID 64686613
methane;N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 158707870
(3R)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;(3S)-3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione;3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-(trideuteriomethyl)piperidine-2,6-dione
CID 158525132
methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione (CID 140915010) is 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione is [2H]C([2H])([2H])[C@]1(N2C(=O)c3cccc(N)c3C2=O)CCC(=O)NC1=O.
What is the InChIKey of 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione?
The InChIKey is VZTDWPXKIYLLAT-FVELLDLOSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-14(6-5-9(18)16-13(14)21)17-11(19)7-3-2-4-8(15)10(7)12(17)20/h2-4H,5-6,15H2,1H3,(H,16,18,21)/t14-/m0/s1/i1D3.
What are the key properties of 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione?
4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione has a molecular weight of 290.29 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 140915010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).