4-piperazin-1-yloxetan-2-one

C7H12N2O2 — CID 175367038

IUPAC4-piperazin-1-yloxetan-2-one
SMILESO=C1CC(N2CCNCC2)O1
InChIInChI=1S/C7H12N2O2/c10-7-5-6(11-7)9-3-1-8-2-4-9/h6,8H,1-5H2
InChIKeyGQCOEISZEDSOQV-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.84
Rot. Bonds1

About 4-piperazin-1-yloxetan-2-one

4-piperazin-1-yloxetan-2-one (PubChem CID 175367038) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-piperazin-1-yloxetan-2-one.

Molecular Properties

Compound Name4-piperazin-1-yloxetan-2-one
PubChem CID175367038
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-piperazin-1-yloxetan-2-one
SMILESO=C1CC(N2CCNCC2)O1
InChIInChI=1S/C7H12N2O2/c10-7-5-6(11-7)9-3-1-8-2-4-9/h6,8H,1-5H2
InChIKeyGQCOEISZEDSOQV-UHFFFAOYSA-N
XLogP-0.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-piperazin-1-yloxolan-2-one
CID 155237405
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
4-(3-piperazin-1-ylazetidin-1-yl)azepan-2-one
CID 66196759
1-(1,3-benzodioxol-2-yl)piperazine
CID 67780354
(8aS)-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-one
CID 55300034
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
(2S)-2-hydroxy-5-piperazin-1-ylcyclopentan-1-one
CID 118703110
3-piperazin-1-yl-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636511
1-[(1R,2R)-2-fluorocyclohexyl]piperazine
CID 126848005
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
1-cyclopentylpiperazine;ethane
CID 143559542

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yloxetan-2-one?
The IUPAC name of 4-piperazin-1-yloxetan-2-one (CID 175367038) is 4-piperazin-1-yloxetan-2-one.
What is the SMILES notation for 4-piperazin-1-yloxetan-2-one?
The canonical SMILES for 4-piperazin-1-yloxetan-2-one is O=C1CC(N2CCNCC2)O1.
What is the InChIKey of 4-piperazin-1-yloxetan-2-one?
The InChIKey is GQCOEISZEDSOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7-5-6(11-7)9-3-1-8-2-4-9/h6,8H,1-5H2.
What are the key properties of 4-piperazin-1-yloxetan-2-one?
4-piperazin-1-yloxetan-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yloxetan-2-one is sourced from PubChem (CID 175367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).