3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione

C17H30N2O2 — CID 64968208

IUPAC3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1CCC(CN2C(=O)C(CC)NC(=O)C2CC)CC1
InChIInChI=1S/C17H30N2O2/c1-4-12-7-9-13(10-8-12)11-19-15(6-3)16(20)18-14(5-2)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyZBOUWVWITZPBSZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione

3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione (PubChem CID 64968208) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
PubChem CID64968208
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1CCC(CN2C(=O)C(CC)NC(=O)C2CC)CC1
InChIInChI=1S/C17H30N2O2/c1-4-12-7-9-13(10-8-12)11-19-15(6-3)16(20)18-14(5-2)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyZBOUWVWITZPBSZ-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

3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione (CID 64968208) is 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione is CCC1CCC(CN2C(=O)C(CC)NC(=O)C2CC)CC1.
What is the InChIKey of 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione?
The InChIKey is ZBOUWVWITZPBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-12-7-9-13(10-8-12)11-19-15(6-3)16(20)18-14(5-2)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]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 3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64968208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).