3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione

C15H17N3O4 — CID 123881098

IUPAC3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2(C)O)CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O4/c1-14(7-6-10(19)17-13(14)21)18-12(20)8-4-3-5-9(16)11(8)15(18,2)22/h3-5,22H,6-7,16H2,1-2H3,(H,17,19,21)
InChIKeyJFAWRNCOGOQARM-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.08
Rot. Bonds1

About 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione

3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione (PubChem CID 123881098) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
PubChem CID123881098
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCC1(N2C(=O)c3cccc(N)c3C2(C)O)CCC(=O)NC1=O
InChIInChI=1S/C15H17N3O4/c1-14(7-6-10(19)17-13(14)21)18-12(20)8-4-3-5-9(16)11(8)15(18,2)22/h3-5,22H,6-7,16H2,1-2H3,(H,17,19,21)
InChIKeyJFAWRNCOGOQARM-UHFFFAOYSA-N
XLogP0.08
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[(3S)-2,6-dioxo-3-(trideuteriomethyl)piperidin-3-yl]isoindole-1,3-dione
CID 140915010
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
3-(5-amino-4-oxo-1,2,3-benzotriazin-3-yl)-3-methylpiperidine-2,6-dione
CID 142748642
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
(3R)-3-(5-amino-2-methyl-4-oxoquinazolin-3-yl)-3-methylpiperidine-2,6-dione
CID 24964387
3-(1,7-diamino-1-hydroxy-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 91340958
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
2-amino-N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 11530279
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414
3-[5-amino-4-oxo-2-(trideuteriomethyl)quinazolin-3-yl]-3-methylpiperidine-2,6-dione
CID 156677524
N-[2-(3-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]benzamide
CID 142663798

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione (CID 123881098) is 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione is CC1(N2C(=O)c3cccc(N)c3C2(C)O)CCC(=O)NC1=O.
What is the InChIKey of 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The InChIKey is JFAWRNCOGOQARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-14(7-6-10(19)17-13(14)21)18-12(20)8-4-3-5-9(16)11(8)15(18,2)22/h3-5,22H,6-7,16H2,1-2H3,(H,17,19,21).
What are the key properties of 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione has a molecular weight of 303.32 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 123881098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).