3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione

C17H30N2O2 — CID 64959537

IUPAC3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCC(C)CC1
InChIInChI=1S/C17H30N2O2/c1-6-13-15(20)18-14(17(3,4)5)16(21)19(13)12-9-7-11(2)8-10-12/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyOFNSTSDPDJKOLC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds2

About 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione

3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione (PubChem CID 64959537) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
PubChem CID64959537
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCC(C)CC1
InChIInChI=1S/C17H30N2O2/c1-6-13-15(20)18-14(17(3,4)5)16(21)19(13)12-9-7-11(2)8-10-12/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyOFNSTSDPDJKOLC-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64973434
3-tert-butyl-1-(oxolan-3-yl)-6-propylpiperazine-2,5-dione
CID 64902463
3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80725478
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
3-tert-butyl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958766
3-tert-butyl-6-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64902074

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione (CID 64959537) is 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione is CCC1C(=O)NC(C(C)(C)C)C(=O)N1C1CCC(C)CC1.
What is the InChIKey of 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The InChIKey is OFNSTSDPDJKOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-13-15(20)18-14(17(3,4)5)16(21)19(13)12-9-7-11(2)8-10-12/h11-14H,6-10H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-ethyl-1-(4-methylcyclohexyl)piperazine-2,5-dione is sourced from PubChem (CID 64959537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).