6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione

C11H20N2O3 — CID 106459119

IUPAC6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1C(=O)CNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-4-6-16-7-5-13-9(14)8-12-10(15)11(13,2)3/h4-8H2,1-3H3,(H,12,15)
InChIKeyWAWFZCWNNZYRBM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds5

About 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione

6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione (PubChem CID 106459119) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione
PubChem CID106459119
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1C(=O)CNC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-4-6-16-7-5-13-9(14)8-12-10(15)11(13,2)3/h4-8H2,1-3H3,(H,12,15)
InChIKeyWAWFZCWNNZYRBM-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-1-(2-propoxyethyl)imidazolidine-2,4-dione
CID 106458142
1-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64879711
1-(2-ethoxyethyl)-6-methyl-6-phenylpiperazine-2,5-dione
CID 64879945
6,6-dimethyl-1-(2-phenylsulfanylethyl)piperazine-2,5-dione
CID 79224358
6,6-dimethyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64880870
1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 65179679
6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
8-ethyl-8-methyl-9-(2-propoxyethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106459063
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
1-[(3,5-dimethylphenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880486
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione (CID 106459119) is 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione is CCCOCCN1C(=O)CNC(=O)C1(C)C.
What is the InChIKey of 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The InChIKey is WAWFZCWNNZYRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-6-16-7-5-13-9(14)8-12-10(15)11(13,2)3/h4-8H2,1-3H3,(H,12,15).
What are the key properties of 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione?
6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-propoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 106459119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).