6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione

C16H26N2O3 — CID 102901696

IUPAC6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O3/c1-2-13-15(20)17-10-14(19)18(13)11-12-6-9-16(21-12)7-4-3-5-8-16/h12-13H,2-11H2,1H3,(H,17,20)
InChIKeyHUVHNQUNTVEBIN-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.61
Rot. Bonds3

About 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione

6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 102901696) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
PubChem CID102901696
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H26N2O3/c1-2-13-15(20)17-10-14(19)18(13)11-12-6-9-16(21-12)7-4-3-5-8-16/h12-13H,2-11H2,1H3,(H,17,20)
InChIKeyHUVHNQUNTVEBIN-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64967045
3,3-dimethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,6-dione
CID 102900133
5,5-dimethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazolidine-2,4-dione
CID 102901153
3-ethyl-3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine-2,5-dione
CID 102901713
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
3,5-diethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrazole
CID 102901064
6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azepan-2-one
CID 102903087
2-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)imidazole
CID 102846459
3-methyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 102901716
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrol-2-yl]methyl]ethanamine
CID 102899594
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione (CID 102901696) is 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CC1CCC2(CCCCC2)O1.
What is the InChIKey of 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is HUVHNQUNTVEBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-13-15(20)17-10-14(19)18(13)11-12-6-9-16(21-12)7-4-3-5-8-16/h12-13H,2-11H2,1H3,(H,17,20).
What are the key properties of 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione?
6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 102901696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).