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

C9H16N2O2 — CID 62390742

IUPAC3-(oxan-4-yl)piperazin-2-one
SMILESO=C1NCCNC1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c12-9-8(10-3-4-11-9)7-1-5-13-6-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPEBFIMWXZDZXAV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.50
Rot. Bonds1

About 3-(oxan-4-yl)piperazin-2-one

3-(oxan-4-yl)piperazin-2-one (PubChem CID 62390742) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(oxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(oxan-4-yl)piperazin-2-one
PubChem CID62390742
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(oxan-4-yl)piperazin-2-one
SMILESO=C1NCCNC1C1CCOCC1
InChIInChI=1S/C9H16N2O2/c12-9-8(10-3-4-11-9)7-1-5-13-6-2-7/h7-8,10H,1-6H2,(H,11,12)
InChIKeyPEBFIMWXZDZXAV-UHFFFAOYSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)piperazin-2-one?
The IUPAC name of 3-(oxan-4-yl)piperazin-2-one (CID 62390742) is 3-(oxan-4-yl)piperazin-2-one.
What is the SMILES notation for 3-(oxan-4-yl)piperazin-2-one?
The canonical SMILES for 3-(oxan-4-yl)piperazin-2-one is O=C1NCCNC1C1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)piperazin-2-one?
The InChIKey is PEBFIMWXZDZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-8(10-3-4-11-9)7-1-5-13-6-2-7/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 3-(oxan-4-yl)piperazin-2-one?
3-(oxan-4-yl)piperazin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)piperazin-2-one is sourced from PubChem (CID 62390742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).