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

C16H28N2O2 — CID 64970352

IUPAC3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-13-16(20)18(14(5-2)15(19)17-13)10-12-8-6-11(3)7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyZEWIPGVWCXYLRA-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

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

3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione (PubChem CID 64970352) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
PubChem CID64970352
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-13-16(20)18(14(5-2)15(19)17-13)10-12-8-6-11(3)7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyZEWIPGVWCXYLRA-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
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
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-(cyclohex-3-en-1-ylmethyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64968016
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione (CID 64970352) is 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(CC2CCC(C)CC2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione?
The InChIKey is ZEWIPGVWCXYLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-13-16(20)18(14(5-2)15(19)17-13)10-12-8-6-11(3)7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 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-methylcyclohexyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64970352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).