2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione

C14H13N3O4 — CID 139441450

IUPAC2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
SMILESCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9,15H,5-6H2,1H3,(H,16,18,19)/t9-/m1/s1
InChIKeyIGPIALGYAAXYIT-SECBINFHSA-N
MW287.27 g/mol
LogP0.13
Rot. Bonds2

About 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione

2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione (PubChem CID 139441450) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
PubChem CID139441450
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
SMILESCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H13N3O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9,15H,5-6H2,1H3,(H,16,18,19)/t9-/m1/s1
InChIKeyIGPIALGYAAXYIT-SECBINFHSA-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 ≤ 500287.27
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

4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 139184599
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702
4-(cyclohexylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146870687
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
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
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-(2,6-dioxopiperidin-3-yl)-4-(4-methoxyanilino)isoindole-1,3-dione;ethane
CID 143421244

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione (CID 139441450) is 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione is CNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione?
The InChIKey is IGPIALGYAAXYIT-SECBINFHSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-15-8-4-2-3-7-11(8)14(21)17(13(7)20)9-5-6-10(18)16-12(9)19/h2-4,9,15H,5-6H2,1H3,(H,16,18,19)/t9-/m1/s1.
What are the key properties of 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione?
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione has a molecular weight of 287.27 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 2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione is sourced from PubChem (CID 139441450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).