2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione

C16H18N2O3 — CID 660902

IUPAC2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-11(14(19)17-9-5-2-6-10-17)18-15(20)12-7-3-4-8-13(12)16(18)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyLEKWUAIEPXINPK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds2

About 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione

2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione (PubChem CID 660902) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione
PubChem CID660902
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H18N2O3/c1-11(14(19)17-9-5-2-6-10-17)18-15(20)12-7-3-4-8-13(12)16(18)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyLEKWUAIEPXINPK-UHFFFAOYSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione (CID 660902) is 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione is CC(C(=O)N1CCCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The InChIKey is LEKWUAIEPXINPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(14(19)17-9-5-2-6-10-17)18-15(20)12-7-3-4-8-13(12)16(18)21/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione?
2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 286.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-piperidin-1-ylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 660902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).