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

C12H23NO4 — CID 104563220

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
SMILESCOCCOCCOCCN1CCCC(=O)C1
InChIInChI=1S/C12H23NO4/c1-15-7-8-17-10-9-16-6-5-13-4-2-3-12(14)11-13/h2-11H2,1H3
InChIKeyOGTCTEBNVFMJPJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.33
Rot. Bonds9

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

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one (PubChem CID 104563220) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
PubChem CID104563220
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
SMILESCOCCOCCOCCN1CCCC(=O)C1
InChIInChI=1S/C12H23NO4/c1-15-7-8-17-10-9-16-6-5-13-4-2-3-12(14)11-13/h2-11H2,1H3
InChIKeyOGTCTEBNVFMJPJ-UHFFFAOYSA-N
XLogP0.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]piperidin-3-one
CID 103409853
cyclohexanone;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174822719
1-(3-aminopropyl)piperidin-3-one
CID 53402694
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
1-(3-aminopropyl)piperidin-3-one;hydrochloride
CID 115019257
1-(2-aminoethyl)piperidin-3-one;hydrochloride
CID 115015277
4-tert-butyl-1-[2-(2-methoxyethoxy)ethyl]piperazin-2-one
CID 138669257
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
4-(3-oxopiperidin-1-yl)butanenitrile
CID 53404164
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
1-(4-phenylbutyl)piperidin-3-one
CID 114333663

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one (CID 104563220) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one is COCCOCCOCCN1CCCC(=O)C1.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one?
The InChIKey is OGTCTEBNVFMJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-15-7-8-17-10-9-16-6-5-13-4-2-3-12(14)11-13/h2-11H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one has a molecular weight of 245.32 g/mol, XLogP of 0.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one is sourced from PubChem (CID 104563220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).