3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride

C8H17Cl2N3O — CID 167723725

IUPAC3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCC1N1CCNCC1
InChIInChI=1S/C8H15N3O.2ClH/c12-8-7(1-2-10-8)11-5-3-9-4-6-11;;/h7,9H,1-6H2,(H,10,12);2*1H
InChIKeyQIQPPHWVSUOCHL-UHFFFAOYSA-N
MW242.15 g/mol
LogP-0.38
Rot. Bonds1

About 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride

3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride (PubChem CID 167723725) has the molecular formula C8H17Cl2N3O and a molecular weight of 242.15 g/mol. Its IUPAC name is 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
PubChem CID167723725
Molecular FormulaC8H17Cl2N3O
Molecular Weight242.15 g/mol
Exact Mass241.07
IUPAC Name3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1NCCC1N1CCNCC1
InChIInChI=1S/C8H15N3O.2ClH/c12-8-7(1-2-10-8)11-5-3-9-4-6-11;;/h7,9H,1-6H2,(H,10,12);2*1H
InChIKeyQIQPPHWVSUOCHL-UHFFFAOYSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The IUPAC name of 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride (CID 167723725) is 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1NCCC1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The InChIKey is QIQPPHWVSUOCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O.2ClH/c12-8-7(1-2-10-8)11-5-3-9-4-6-11;;/h7,9H,1-6H2,(H,10,12);2*1H.
What are the key properties of 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride has a molecular weight of 242.15 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 167723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).