1-(azetidin-3-yl)piperazin-2-one

C7H13N3O — CID 163241212

IUPAC1-(azetidin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CNC1
InChIInChI=1S/C7H13N3O/c11-7-5-8-1-2-10(7)6-3-9-4-6/h6,8-9H,1-5H2
InChIKeyZAJRRYKIXKRPNJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.61
Rot. Bonds1

About 1-(azetidin-3-yl)piperazin-2-one

1-(azetidin-3-yl)piperazin-2-one (PubChem CID 163241212) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)piperazin-2-one
PubChem CID163241212
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(azetidin-3-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CNC1
InChIInChI=1S/C7H13N3O/c11-7-5-8-1-2-10(7)6-3-9-4-6/h6,8-9H,1-5H2
InChIKeyZAJRRYKIXKRPNJ-UHFFFAOYSA-N
XLogP-1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
CID 67085216
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938
1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
CID 67085330
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976
1-[(1S,3S,5R)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 67112052
1-(2-methylcyclohexyl)piperazin-2-one
CID 64566824
1-[(1S,3S,5S)-2-oxo-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 67112050
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
1-[4-[[amino(methyl)amino]methyl]cyclohexyl]piperazin-2-one
CID 123802831

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)piperazin-2-one?
The IUPAC name of 1-(azetidin-3-yl)piperazin-2-one (CID 163241212) is 1-(azetidin-3-yl)piperazin-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)piperazin-2-one?
The canonical SMILES for 1-(azetidin-3-yl)piperazin-2-one is O=C1CNCCN1C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)piperazin-2-one?
The InChIKey is ZAJRRYKIXKRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-7-5-8-1-2-10(7)6-3-9-4-6/h6,8-9H,1-5H2.
What are the key properties of 1-(azetidin-3-yl)piperazin-2-one?
1-(azetidin-3-yl)piperazin-2-one has a molecular weight of 155.20 g/mol, XLogP of -1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)piperazin-2-one is sourced from PubChem (CID 163241212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).