3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione

C16H28N2O2 — CID 106027659

IUPAC3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
SMILESCCCCC(CCC)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-8-13(7-5-2)18-11-14(19)17-16(3,15(18)20)12-9-10-12/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyCEYOCTFAERIOAG-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds7

About 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione

3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione (PubChem CID 106027659) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
PubChem CID106027659
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione
SMILESCCCCC(CCC)N1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-8-13(7-5-2)18-11-14(19)17-16(3,15(18)20)12-9-10-12/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyCEYOCTFAERIOAG-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969134
3-cyclopropyl-3-methyl-1-(2-methylpentan-3-yl)piperazine-2,5-dione
CID 64964684
1-octan-4-ylpiperazine-2,5-dione
CID 106027657
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-3-methylpiperazine-2,5-dione
CID 64968171
1-hexan-2-yl-3,3-dimethylpiperazine-2,5-dione
CID 64969014
3-cyclopropyl-3-methyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
CID 113472045
3-cyclopropyl-3-methyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963080
3-cyclopropyl-1-(1-methoxybutan-2-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64972797
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64956567
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459136
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
CID 64972933

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione (CID 106027659) is 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione is CCCCC(CCC)N1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione?
The InChIKey is CEYOCTFAERIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-6-8-13(7-5-2)18-11-14(19)17-16(3,15(18)20)12-9-10-12/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine-2,5-dione is sourced from PubChem (CID 106027659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).