3-piperidin-4-ylpyrrolidine-2,5-dione

C9H14N2O2 — CID 173255844

IUPAC3-piperidin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCNCC2)C(=O)N1
InChIInChI=1S/C9H14N2O2/c12-8-5-7(9(13)11-8)6-1-3-10-4-2-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyYLKUDDGPAWAFBV-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.35
Rot. Bonds1

About 3-piperidin-4-ylpyrrolidine-2,5-dione

3-piperidin-4-ylpyrrolidine-2,5-dione (PubChem CID 173255844) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-piperidin-4-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-piperidin-4-ylpyrrolidine-2,5-dione
PubChem CID173255844
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-piperidin-4-ylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCNCC2)C(=O)N1
InChIInChI=1S/C9H14N2O2/c12-8-5-7(9(13)11-8)6-1-3-10-4-2-6/h6-7,10H,1-5H2,(H,11,12,13)
InChIKeyYLKUDDGPAWAFBV-UHFFFAOYSA-N
XLogP-0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentylpyrrolidine-2,5-dione
CID 14918416
3-cyclohexylpyrrolidine-2,5-dione
CID 12931268
3-(1-phenylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 106821036
6,7-dimethoxy-4-piperidin-4-yl-3,4-dihydro-1H-quinolin-2-one
CID 50979859
3-(aziridin-2-yl)pyrrolidine-2,5-dione
CID 167096891
3-(1-ethylazepan-4-yl)pyrrolidine-2,5-dione
CID 65076585
3-(4-piperidin-4-ylpiperidin-1-yl)piperidine-2,6-dione
CID 177057043
5-piperidin-4-ylpyrrolidin-2-one;hydrochloride
CID 42609658
3-(7-oxoazepan-2-yl)pyrrolidine-2,5-dione
CID 67860178
(4R)-2-oxo-4-piperidin-4-yl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinoline-6-carboxamide
CID 95149170
3-(2,3-dimethylcyclobutyl)pyrrolidine-2,5-dione
CID 130729555
3-(2,5-dioxopyrrolidin-3-yl)-1-hydroxypyrrolidine-2,5-dione
CID 141162707

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-piperidin-4-ylpyrrolidine-2,5-dione (CID 173255844) is 3-piperidin-4-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-piperidin-4-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-piperidin-4-ylpyrrolidine-2,5-dione is O=C1CC(C2CCNCC2)C(=O)N1.
What is the InChIKey of 3-piperidin-4-ylpyrrolidine-2,5-dione?
The InChIKey is YLKUDDGPAWAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-5-7(9(13)11-8)6-1-3-10-4-2-6/h6-7,10H,1-5H2,(H,11,12,13).
What are the key properties of 3-piperidin-4-ylpyrrolidine-2,5-dione?
3-piperidin-4-ylpyrrolidine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 173255844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).