4-(2-oxocycloheptyl)piperazin-2-one

C11H18N2O2 — CID 60865433

IUPAC4-(2-oxocycloheptyl)piperazin-2-one
SMILESO=C1CN(C2CCCCCC2=O)CCN1
InChIInChI=1S/C11H18N2O2/c14-10-5-3-1-2-4-9(10)13-7-6-12-11(15)8-13/h9H,1-8H2,(H,12,15)
InChIKeyWUWFZPKEMXQUHS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.32
Rot. Bonds1

About 4-(2-oxocycloheptyl)piperazin-2-one

4-(2-oxocycloheptyl)piperazin-2-one (PubChem CID 60865433) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-oxocycloheptyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-oxocycloheptyl)piperazin-2-one
PubChem CID60865433
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-oxocycloheptyl)piperazin-2-one
SMILESO=C1CN(C2CCCCCC2=O)CCN1
InChIInChI=1S/C11H18N2O2/c14-10-5-3-1-2-4-9(10)13-7-6-12-11(15)8-13/h9H,1-8H2,(H,12,15)
InChIKeyWUWFZPKEMXQUHS-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxocycloheptyl)piperazin-2-one?
The IUPAC name of 4-(2-oxocycloheptyl)piperazin-2-one (CID 60865433) is 4-(2-oxocycloheptyl)piperazin-2-one.
What is the SMILES notation for 4-(2-oxocycloheptyl)piperazin-2-one?
The canonical SMILES for 4-(2-oxocycloheptyl)piperazin-2-one is O=C1CN(C2CCCCCC2=O)CCN1.
What is the InChIKey of 4-(2-oxocycloheptyl)piperazin-2-one?
The InChIKey is WUWFZPKEMXQUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-5-3-1-2-4-9(10)13-7-6-12-11(15)8-13/h9H,1-8H2,(H,12,15).
What are the key properties of 4-(2-oxocycloheptyl)piperazin-2-one?
4-(2-oxocycloheptyl)piperazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxocycloheptyl)piperazin-2-one is sourced from PubChem (CID 60865433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).