1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione

C12H22N2O3 — CID 64972792

IUPAC1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCCC(COC)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C12H22N2O3/c1-5-6-10(7-17-4)14-9(3)11(15)13-8(2)12(14)16/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyZPJFIZCEFYZNRC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione

1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64972792) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID64972792
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCCC(COC)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C12H22N2O3/c1-5-6-10(7-17-4)14-9(3)11(15)13-8(2)12(14)16/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyZPJFIZCEFYZNRC-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(1-methoxypentan-2-yl)-2-methylimidazolidin-4-one
CID 83263467
1-(1-methoxypentan-2-yl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64972873
3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966297
3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
CID 64972933
3-tert-butyl-6-methyl-1-octan-4-ylpiperazine-2,5-dione
CID 106027619
1-(1-methoxy-3-methylbutan-2-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 65053001
3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
5-butan-2-yl-3-(1-methoxypentan-2-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262847
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
6-ethyl-1-hex-1-yn-3-yl-3-methylpiperazine-2,5-dione
CID 106225066
1-[1-(4-methoxyphenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 66243258

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione (CID 64972792) is 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione is CCCC(COC)N1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ZPJFIZCEFYZNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-6-10(7-17-4)14-9(3)11(15)13-8(2)12(14)16/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione?
1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64972792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).