3-ethyl-3-methyl-1-octylpiperazine-2,5-dione

C15H28N2O2 — CID 64882721

IUPAC3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1CC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-11-17-12-13(18)16-15(3,5-2)14(17)19/h4-12H2,1-3H3,(H,16,18)
InChIKeySKWQQHYEKSYOOO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.47
Rot. Bonds8

About 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione

3-ethyl-3-methyl-1-octylpiperazine-2,5-dione (PubChem CID 64882721) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
PubChem CID64882721
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-ethyl-3-methyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1CC(=O)NC(C)(CC)C1=O
InChIInChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-11-17-12-13(18)16-15(3,5-2)14(17)19/h4-12H2,1-3H3,(H,16,18)
InChIKeySKWQQHYEKSYOOO-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
3-ethyl-3-methyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522526
3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970582
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
3-methyl-1-pentyl-3-phenylpiperazine-2,5-dione
CID 64881358
3-ethyl-3-methyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79223836
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970121
3-ethyl-1-hex-5-ynyl-3-methyl-1,4-diazepane-2,5-dione
CID 106210859
3-ethyl-1-[(2-ethylphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64973584
1-pentyl-2-sulfanylideneimidazolidin-4-one
CID 87319308
3-ethyl-3-methyl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64882918

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione (CID 64882721) is 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione is CCCCCCCCN1CC(=O)NC(C)(CC)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione?
The InChIKey is SKWQQHYEKSYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-6-7-8-9-10-11-17-12-13(18)16-15(3,5-2)14(17)19/h4-12H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-octylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-octylpiperazine-2,5-dione is sourced from PubChem (CID 64882721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).