1-(2,2-diethyloxan-4-yl)piperazin-2-one

C13H24N2O2 — CID 83040073

IUPAC1-(2,2-diethyloxan-4-yl)piperazin-2-one
SMILESCCC1(CC)CC(N2CCNCC2=O)CCO1
InChIInChI=1S/C13H24N2O2/c1-3-13(4-2)9-11(5-8-17-13)15-7-6-14-10-12(15)16/h11,14H,3-10H2,1-2H3
InChIKeyPALXNVUUOCPRIE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)piperazin-2-one

1-(2,2-diethyloxan-4-yl)piperazin-2-one (PubChem CID 83040073) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)piperazin-2-one
PubChem CID83040073
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-diethyloxan-4-yl)piperazin-2-one
SMILESCCC1(CC)CC(N2CCNCC2=O)CCO1
InChIInChI=1S/C13H24N2O2/c1-3-13(4-2)9-11(5-8-17-13)15-7-6-14-10-12(15)16/h11,14H,3-10H2,1-2H3
InChIKeyPALXNVUUOCPRIE-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diethyloxan-4-yl)piperidine-2,4-dione
CID 83028865
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
1-(2,2-diethyloxan-4-yl)piperidin-2-imine
CID 83029021
1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83260537
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)piperazin-2-one?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)piperazin-2-one (CID 83040073) is 1-(2,2-diethyloxan-4-yl)piperazin-2-one.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)piperazin-2-one?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)piperazin-2-one is CCC1(CC)CC(N2CCNCC2=O)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)piperazin-2-one?
The InChIKey is PALXNVUUOCPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-13(4-2)9-11(5-8-17-13)15-7-6-14-10-12(15)16/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-diethyloxan-4-yl)piperazin-2-one?
1-(2,2-diethyloxan-4-yl)piperazin-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethyloxan-4-yl)piperazin-2-one is sourced from PubChem (CID 83040073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).