4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione

C19H15N3O4 — CID 139184599

IUPAC4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC[C@H](N2C(=O)c3cccc(Nc4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H15N3O4/c23-15-10-9-14(17(24)21-15)22-18(25)12-7-4-8-13(16(12)19(22)26)20-11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H,21,23,24)/t14-/m0/s1
InChIKeyMEYKZCUSYIEQSY-AWEZNQCLSA-N
MW349.35 g/mol
LogP1.83
Rot. Bonds3

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

4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 139184599) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID139184599
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC[C@H](N2C(=O)c3cccc(Nc4ccccc4)c3C2=O)C(=O)N1
InChIInChI=1S/C19H15N3O4/c23-15-10-9-14(17(24)21-15)22-18(25)12-7-4-8-13(16(12)19(22)26)20-11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H,21,23,24)/t14-/m0/s1
InChIKeyMEYKZCUSYIEQSY-AWEZNQCLSA-N
XLogP1.83
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-(4-methoxyanilino)isoindole-1,3-dione;ethane
CID 143421244
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
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-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
4-(2,5-dimethoxyanilino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 58827357
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-(2,6-dioxopiperidin-3-yl)-4-[3-(2-morpholin-4-ylethoxy)anilino]isoindole-1,3-dione
CID 58827325
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione (CID 139184599) is 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is O=C1CC[C@H](N2C(=O)c3cccc(Nc4ccccc4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is MEYKZCUSYIEQSY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-15-10-9-14(17(24)21-15)22-18(25)12-7-4-8-13(16(12)19(22)26)20-11-5-2-1-3-6-11/h1-8,14,20H,9-10H2,(H,21,23,24)/t14-/m0/s1.
What are the key properties of 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione?
4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 349.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 139184599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).