1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride

C9H15ClN2O2 — CID 20556253

IUPAC1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C9H14N2O2.ClH/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;/h7,10H,1-6H2;1H
InChIKeyRRBBAOKWSXVSCI-UHFFFAOYSA-N
MW218.68 g/mol
LogP0.31
Rot. Bonds1

About 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride

1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride (PubChem CID 20556253) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
PubChem CID20556253
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CCC(=O)N1C1CCNCC1
InChIInChI=1S/C9H14N2O2.ClH/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;/h7,10H,1-6H2;1H
InChIKeyRRBBAOKWSXVSCI-UHFFFAOYSA-N
XLogP0.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 50.31
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-ylpyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride (CID 20556253) is 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride is Cl.O=C1CCC(=O)N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride?
The InChIKey is RRBBAOKWSXVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.ClH/c12-8-1-2-9(13)11(8)7-3-5-10-6-4-7;/h7,10H,1-6H2;1H.
What are the key properties of 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride?
1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride has a molecular weight of 218.68 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylpyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 20556253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).