1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione

C11H20N2O3 — CID 64956607

IUPAC1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOCC(C)N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C11H20N2O3/c1-7(6-16-5)13-8(2)9(14)12-11(3,4)10(13)15/h7-8H,6H2,1-5H3,(H,12,14)
InChIKeyLWEZFLVKQXKJGL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione

1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 64956607) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID64956607
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOCC(C)N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C11H20N2O3/c1-7(6-16-5)13-8(2)9(14)12-11(3,4)10(13)15/h7-8H,6H2,1-5H3,(H,12,14)
InChIKeyLWEZFLVKQXKJGL-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-[1-(4-fluorophenyl)propan-2-yl]-3,3,6-trimethylpiperazine-2,5-dione
CID 64970006
6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64972906
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
1-(1-cyclohexylethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64969145
3,3,6-trimethyl-1-(1-methylsulfanylbutan-2-yl)piperazine-2,5-dione
CID 113495303
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
1-(1-methoxypropan-2-yl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64956609
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601
3-(1-methoxypropan-2-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83240070
3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
CID 113473201
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965046

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione (CID 64956607) is 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione is COCC(C)N1C(=O)C(C)(C)NC(=O)C1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is LWEZFLVKQXKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(6-16-5)13-8(2)9(14)12-11(3,4)10(13)15/h7-8H,6H2,1-5H3,(H,12,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione?
1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64956607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).