3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione

C12H21NO5 — CID 104567454

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
SMILESCOCCOCCOCCC1CCC(=O)NC1=O
InChIInChI=1S/C12H21NO5/c1-16-6-7-18-9-8-17-5-4-10-2-3-11(14)13-12(10)15/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyRUPZAQAXUUQFEA-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.11
Rot. Bonds9

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione (PubChem CID 104567454) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
PubChem CID104567454
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
SMILESCOCCOCCOCCC1CCC(=O)NC1=O
InChIInChI=1S/C12H21NO5/c1-16-6-7-18-9-8-17-5-4-10-2-3-11(14)13-12(10)15/h10H,2-9H2,1H3,(H,13,14,15)
InChIKeyRUPZAQAXUUQFEA-UHFFFAOYSA-N
XLogP0.11
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione (CID 104567454) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione is COCCOCCOCCC1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione?
The InChIKey is RUPZAQAXUUQFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-16-6-7-18-9-8-17-5-4-10-2-3-11(14)13-12(10)15/h10H,2-9H2,1H3,(H,13,14,15).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione has a molecular weight of 259.30 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione is sourced from PubChem (CID 104567454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).