1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one

C13H26N2O4 — CID 104566176

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
SMILESCOCCOCCOCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C13H26N2O4/c1-13(2)12(16)15(5-4-14-13)6-7-18-10-11-19-9-8-17-3/h14H,4-11H2,1-3H3
InChIKeyRUFPSCVJIAUKJA-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.12
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one (PubChem CID 104566176) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
PubChem CID104566176
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
SMILESCOCCOCCOCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C13H26N2O4/c1-13(2)12(16)15(5-4-14-13)6-7-18-10-11-19-9-8-17-3/h14H,4-11H2,1-3H3
InChIKeyRUFPSCVJIAUKJA-UHFFFAOYSA-N
XLogP-0.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
CID 63602475
1-(3-methoxypropyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016400
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazine-2,6-dione
CID 104566190
4-bromo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 87941958
3,3-dimethyl-1-pentylpiperazin-2-one
CID 63600378
6-[2-(2-methoxyethoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83256016
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
3-[2-(2-methoxyethoxy)ethyl]-5-methylimidazolidin-4-one
CID 83256580
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine
CID 103414045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one (CID 104566176) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one is COCCOCCOCCN1CCNC(C)(C)C1=O.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is RUFPSCVJIAUKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(2)12(16)15(5-4-14-13)6-7-18-10-11-19-9-8-17-3/h14H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of -0.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 104566176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).