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

C13H22N2O2 — CID 64960278

IUPAC1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2CCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-13(3)12(17)15(8-10-6-5-7-10)9(2)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyCKQGZEJSDCITRQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

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

1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64960278) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64960278
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2CCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-4-13(3)12(17)15(8-10-6-5-7-10)9(2)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyCKQGZEJSDCITRQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
1-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
1-(cyclopentylmethyl)-3-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64887277
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 64960278) is 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CC2CCC2)C1=O.
What is the InChIKey of 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is CKQGZEJSDCITRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(3)12(17)15(8-10-6-5-7-10)9(2)11(16)14-13/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64960278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).