1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione

C15H28N2O2 — CID 104830230

IUPAC1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-8-11-12(18)16-15(7,9-2)13(19)17(11)10(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeyMMLWOXJROJKKEC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds3

About 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione

1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione (PubChem CID 104830230) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
PubChem CID104830230
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)(C)C
InChIInChI=1S/C15H28N2O2/c1-8-11-12(18)16-15(7,9-2)13(19)17(11)10(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,16,18)
InChIKeyMMLWOXJROJKKEC-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959773
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
CID 64957642
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
1-(3,3-dimethylbutan-2-yl)-6-ethylpiperazine-2,5-dione
CID 104830226
1-[(E)-3-chloroprop-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107902225
1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-ethyl-3-methyl-1,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64885290
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 104830751
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
1-[(E)-but-2-enyl]-3-ethyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 107898305

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione (CID 104830230) is 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1C(C)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
The InChIKey is MMLWOXJROJKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-8-11-12(18)16-15(7,9-2)13(19)17(11)10(3)14(4,5)6/h10-11H,8-9H2,1-7H3,(H,16,18).
What are the key properties of 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione?
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 104830230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).