1-(oxan-4-yl)piperazin-2-one

C9H16N2O2 — CID 55296257

IUPAC1-(oxan-4-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8/h8,10H,1-7H2
InChIKeyDSOLFSSRDLXUTP-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.40
Rot. Bonds1

About 1-(oxan-4-yl)piperazin-2-one

1-(oxan-4-yl)piperazin-2-one (PubChem CID 55296257) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(oxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)piperazin-2-one
PubChem CID55296257
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(oxan-4-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8/h8,10H,1-7H2
InChIKeyDSOLFSSRDLXUTP-UHFFFAOYSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)piperazin-2-one?
The IUPAC name of 1-(oxan-4-yl)piperazin-2-one (CID 55296257) is 1-(oxan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(oxan-4-yl)piperazin-2-one?
The canonical SMILES for 1-(oxan-4-yl)piperazin-2-one is O=C1CNCCN1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)piperazin-2-one?
The InChIKey is DSOLFSSRDLXUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-7-10-3-4-11(9)8-1-5-13-6-2-8/h8,10H,1-7H2.
What are the key properties of 1-(oxan-4-yl)piperazin-2-one?
1-(oxan-4-yl)piperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)piperazin-2-one is sourced from PubChem (CID 55296257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).