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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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).