1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione

C15H26N2O3 — CID 83039336

IUPAC1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-15(6-2)13(19)17(10-12(18)16-15)11-7-8-20-14(3,4)9-11/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyPPHWHFGKAJNXSF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds3

About 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione

1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 83039336) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
PubChem CID83039336
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CCOC(C)(C)C2)C1=O
InChIInChI=1S/C15H26N2O3/c1-5-15(6-2)13(19)17(10-12(18)16-15)11-7-8-20-14(3,4)9-11/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyPPHWHFGKAJNXSF-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
CID 83039442
3,3-diethyl-1-(oxan-4-yl)-1,4-diazepane-2,5-dione
CID 64960815
3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82736239
1-(2,2-dimethyloxan-4-yl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115949002
3-butan-2-yl-1-(2,2-dimethyloxan-4-yl)-1,4-diazepane-2,5-dione
CID 83036095
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64958518
3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80733238
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83028716
3-(2,2-dimethyloxan-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83259569

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione (CID 83039336) is 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(C2CCOC(C)(C)C2)C1=O.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is PPHWHFGKAJNXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-15(6-2)13(19)17(10-12(18)16-15)11-7-8-20-14(3,4)9-11/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione?
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 83039336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).