1-hexan-3-ylpiperazine-2,5-dione

C10H18N2O2 — CID 64955992

IUPAC1-hexan-3-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(4-2)12-7-9(13)11-6-10(12)14/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyKPMLZKZNZUXHAR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.52
Rot. Bonds4

About 1-hexan-3-ylpiperazine-2,5-dione

1-hexan-3-ylpiperazine-2,5-dione (PubChem CID 64955992) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-hexan-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-hexan-3-ylpiperazine-2,5-dione
PubChem CID64955992
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-hexan-3-ylpiperazine-2,5-dione
SMILESCCCC(CC)N1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-5-8(4-2)12-7-9(13)11-6-10(12)14/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyKPMLZKZNZUXHAR-UHFFFAOYSA-N
XLogP0.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-octan-4-ylpiperazine-2,5-dione
CID 106027657
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
1-(3-ethylpentan-2-yl)piperazine-2,5-dione
CID 64956147
1-octan-2-ylpiperazine-2,5-dione
CID 64955606
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-pentan-2-ylimidazolidine-2,4-dione
CID 79777351
4-hexan-3-yl-1,2,4-triazinan-3-one
CID 145049642
2-ethyl-3-hexan-3-ylimidazolidin-4-one
CID 83252525
ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-hexan-3-yl-6-phenylpiperazine-2,5-dione
CID 64969117
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027659
1-(1-cyclopropylbutan-2-yl)imidazolidine-2,4-dione
CID 79777087

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-ylpiperazine-2,5-dione?
The IUPAC name of 1-hexan-3-ylpiperazine-2,5-dione (CID 64955992) is 1-hexan-3-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-hexan-3-ylpiperazine-2,5-dione?
The canonical SMILES for 1-hexan-3-ylpiperazine-2,5-dione is CCCC(CC)N1CC(=O)NCC1=O.
What is the InChIKey of 1-hexan-3-ylpiperazine-2,5-dione?
The InChIKey is KPMLZKZNZUXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-8(4-2)12-7-9(13)11-6-10(12)14/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 1-hexan-3-ylpiperazine-2,5-dione?
1-hexan-3-ylpiperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 64955992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).