1-piperidin-4-ylpyrrole-2,5-dione

C9H12N2O2 — CID 20566478

IUPAC1-piperidin-4-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10H,3-6H2
InChIKeyWPBUISBVAWHLGC-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.34
Rot. Bonds1

About 1-piperidin-4-ylpyrrole-2,5-dione

1-piperidin-4-ylpyrrole-2,5-dione (PubChem CID 20566478) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrole-2,5-dione
PubChem CID20566478
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-piperidin-4-ylpyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C1CCNCC1
InChIInChI=1S/C9H12N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10H,3-6H2
InChIKeyWPBUISBVAWHLGC-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
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 1-piperidin-4-ylpyrrole-2,5-dione?
The IUPAC name of 1-piperidin-4-ylpyrrole-2,5-dione (CID 20566478) is 1-piperidin-4-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-piperidin-4-ylpyrrole-2,5-dione?
The canonical SMILES for 1-piperidin-4-ylpyrrole-2,5-dione is O=C1C=CC(=O)N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrrole-2,5-dione?
The InChIKey is WPBUISBVAWHLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7/h1-2,7,10H,3-6H2.
What are the key properties of 1-piperidin-4-ylpyrrole-2,5-dione?
1-piperidin-4-ylpyrrole-2,5-dione has a molecular weight of 180.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrole-2,5-dione is sourced from PubChem (CID 20566478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).