2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione

C19H14N2O4 — CID 10640444

IUPAC2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)C(N2C(=O)c3ccccc3C2=O)CC1c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-16-14(11-6-2-1-3-7-11)10-15(17(23)20-16)21-18(24)12-8-4-5-9-13(12)19(21)25/h1-9,14-15H,10H2,(H,20,22,23)
InChIKeyCNLJMMLBJYVTPG-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.48
Rot. Bonds2

About 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione

2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione (PubChem CID 10640444) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
PubChem CID10640444
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)C(N2C(=O)c3ccccc3C2=O)CC1c1ccccc1
InChIInChI=1S/C19H14N2O4/c22-16-14(11-6-2-1-3-7-11)10-15(17(23)20-16)21-18(24)12-8-4-5-9-13(12)19(21)25/h1-9,14-15H,10H2,(H,20,22,23)
InChIKeyCNLJMMLBJYVTPG-UHFFFAOYSA-N
XLogP1.48
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
CID 142755205
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-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
CID 10805336
2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[(3R)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]isoindole-1,3-dione
CID 92977923
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489
2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl)isoindole-1,3-dione
CID 13375158
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione (CID 10640444) is 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione is O=C1NC(=O)C(N2C(=O)c3ccccc3C2=O)CC1c1ccccc1.
What is the InChIKey of 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is CNLJMMLBJYVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-16-14(11-6-2-1-3-7-11)10-15(17(23)20-16)21-18(24)12-8-4-5-9-13(12)19(21)25/h1-9,14-15H,10H2,(H,20,22,23).
What are the key properties of 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione?
2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 334.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 10640444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).