3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione

C17H30N2O2 — CID 64887564

IUPAC3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1C(=O)C(C2CCCCC2)NC(=O)C1CC
InChIInChI=1S/C17H30N2O2/c1-4-12(3)11-19-14(5-2)16(20)18-15(17(19)21)13-9-7-6-8-10-13/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyFSWZQTMRGTVVFU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione

3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione (PubChem CID 64887564) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
PubChem CID64887564
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)CN1C(=O)C(C2CCCCC2)NC(=O)C1CC
InChIInChI=1S/C17H30N2O2/c1-4-12(3)11-19-14(5-2)16(20)18-15(17(19)21)13-9-7-6-8-10-13/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyFSWZQTMRGTVVFU-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
3-cyclopropyl-6-ethyl-1-(thian-2-ylmethyl)piperazine-2,5-dione
CID 80612398
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
3-cyclopropyl-6-ethyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64884857

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione (CID 64887564) is 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione is CCC(C)CN1C(=O)C(C2CCCCC2)NC(=O)C1CC.
What is the InChIKey of 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione?
The InChIKey is FSWZQTMRGTVVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-12(3)11-19-14(5-2)16(20)18-15(17(19)21)13-9-7-6-8-10-13/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione?
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64887564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).