1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C16H28N2O2 — CID 64973398

IUPAC1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C16H28N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWFKQNMSBONMTOC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds2

About 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64973398) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64973398
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C1CCC(C)C(C)C1
InChIInChI=1S/C16H28N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyWFKQNMSBONMTOC-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(3,5-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64973557
1-cyclohexyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958809
1-(3,4-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64973434
6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64966584
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
3-(3,4-dimethylcyclohexyl)-2,5-diethylimidazolidin-4-one
CID 83263458
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
CID 64960889
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
3-(3,4-dimethylcyclohexyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263988
(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione
CID 146096855
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875190

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64973398) is 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is WFKQNMSBONMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64973398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).