6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione

C16H28N2O3 — CID 64901093

IUPAC6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)C(CC)NC(=O)C1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-13-16(20)18(10-11-21-4-2)14(15(19)17-13)12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYPQWJNLGACIWHR-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds6

About 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione

6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione (PubChem CID 64901093) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
PubChem CID64901093
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)C(CC)NC(=O)C1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-3-13-16(20)18(10-11-21-4-2)14(15(19)17-13)12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyYPQWJNLGACIWHR-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901725
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-cyclopropyl-3-ethyl-1-propylpiperazine-2,5-dione
CID 64901468
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
CID 65177758
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
6-cyclopropyl-3-ethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903765
6-cyclopropyl-3-ethyl-1-methylpiperazine-2,5-dione
CID 64903767
6-cyclohexyl-1-(2,2-difluoroethyl)-3-propylpiperazine-2,5-dione
CID 64872785
6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64874482
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione (CID 64901093) is 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione is CCOCCN1C(=O)C(CC)NC(=O)C1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione?
The InChIKey is YPQWJNLGACIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-13-16(20)18(10-11-21-4-2)14(15(19)17-13)12-8-6-5-7-9-12/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione?
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).