1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one

C12H21N3O2 — CID 82511193

IUPAC1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
SMILESCC(CC(=O)N1CCNCC1)N1CCCC1=O
InChIInChI=1S/C12H21N3O2/c1-10(15-6-2-3-11(15)16)9-12(17)14-7-4-13-5-8-14/h10,13H,2-9H2,1H3
InChIKeyGUCVAJVZSBTRPA-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.18
Rot. Bonds3

About 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one

1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one (PubChem CID 82511193) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
PubChem CID82511193
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
SMILESCC(CC(=O)N1CCNCC1)N1CCCC1=O
InChIInChI=1S/C12H21N3O2/c1-10(15-6-2-3-11(15)16)9-12(17)14-7-4-13-5-8-14/h10,13H,2-9H2,1H3
InChIKeyGUCVAJVZSBTRPA-UHFFFAOYSA-N
XLogP-0.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one (CID 82511193) is 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one is CC(CC(=O)N1CCNCC1)N1CCCC1=O.
What is the InChIKey of 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is GUCVAJVZSBTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(15-6-2-3-11(15)16)9-12(17)14-7-4-13-5-8-14/h10,13H,2-9H2,1H3.
What are the key properties of 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one?
1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 82511193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).