1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione

C16H28N2O2 — CID 64964026

IUPAC1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-13-16(20)18(14(4-2)15(19)17-13)11-10-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYMMGVSYFFKNBGW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione

1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64964026) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64964026
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCC2CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-3-13-16(20)18(14(4-2)15(19)17-13)11-10-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYMMGVSYFFKNBGW-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
2-cyclopentyl-3-(2-cyclopentylethyl)-5-ethylimidazolidin-4-one
CID 83255960
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione (CID 64964026) is 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(CCC2CCCCC2)C1=O.
What is the InChIKey of 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is YMMGVSYFFKNBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-13-16(20)18(14(4-2)15(19)17-13)11-10-12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione?
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64964026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).