1-octan-4-ylpiperazine-2,5-dione

C12H22N2O2 — CID 106027657

IUPAC1-octan-4-ylpiperazine-2,5-dione
SMILESCCCCC(CCC)N1CC(=O)NCC1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-7-10(6-4-2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyZENCEOLTBKQVEA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds6

About 1-octan-4-ylpiperazine-2,5-dione

1-octan-4-ylpiperazine-2,5-dione (PubChem CID 106027657) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-octan-4-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-octan-4-ylpiperazine-2,5-dione
PubChem CID106027657
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-octan-4-ylpiperazine-2,5-dione
SMILESCCCCC(CCC)N1CC(=O)NCC1=O
InChIInChI=1S/C12H22N2O2/c1-3-5-7-10(6-4-2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyZENCEOLTBKQVEA-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hexan-3-ylpiperazine-2,5-dione
CID 64955992
1-octan-2-ylpiperazine-2,5-dione
CID 64955606
1-nonan-4-ylpiperazin-2-one
CID 129260157
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
1-(3-ethylpentan-2-yl)piperazine-2,5-dione
CID 64956147
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
azane;1-butylpiperazine-2,5-dione
CID 174744496
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 106021485
5-butyl-3-octan-4-ylimidazolidin-4-one
CID 106021472
2-octan-4-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 106027624
2-(2-methylpropyl)-3-octan-4-ylimidazolidin-4-one
CID 106021540

Frequently Asked Questions

What is the IUPAC name of 1-octan-4-ylpiperazine-2,5-dione?
The IUPAC name of 1-octan-4-ylpiperazine-2,5-dione (CID 106027657) is 1-octan-4-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-octan-4-ylpiperazine-2,5-dione?
The canonical SMILES for 1-octan-4-ylpiperazine-2,5-dione is CCCCC(CCC)N1CC(=O)NCC1=O.
What is the InChIKey of 1-octan-4-ylpiperazine-2,5-dione?
The InChIKey is ZENCEOLTBKQVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-5-7-10(6-4-2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1-octan-4-ylpiperazine-2,5-dione?
1-octan-4-ylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-4-ylpiperazine-2,5-dione is sourced from PubChem (CID 106027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).