1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one

C10H16N2O2 — CID 80732803

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CC2CCC1O2
InChIInChI=1S/C10H16N2O2/c13-10-6-11-3-4-12(10)8-5-7-1-2-9(8)14-7/h7-9,11H,1-6H2
InChIKeyJCQCRFFYSJQGCH-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.26
Rot. Bonds1

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one

1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one (PubChem CID 80732803) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one
PubChem CID80732803
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one
SMILESO=C1CNCCN1C1CC2CCC1O2
InChIInChI=1S/C10H16N2O2/c13-10-6-11-3-4-12(10)8-5-7-1-2-9(8)14-7/h7-9,11H,1-6H2
InChIKeyJCQCRFFYSJQGCH-UHFFFAOYSA-N
XLogP-0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one (CID 80732803) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one is O=C1CNCCN1C1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one?
The InChIKey is JCQCRFFYSJQGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-6-11-3-4-12(10)8-5-7-1-2-9(8)14-7/h7-9,11H,1-6H2.
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one has a molecular weight of 196.25 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazin-2-one is sourced from PubChem (CID 80732803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).