3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one

C14H27NO4 — CID 114508953

IUPAC3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
SMILESCCC1CN(CCOCCOCCOC)CCC1=O
InChIInChI=1S/C14H27NO4/c1-3-13-12-15(5-4-14(13)16)6-7-18-10-11-19-9-8-17-2/h13H,3-12H2,1-2H3
InChIKeySQMYQXISHNVAGE-UHFFFAOYSA-N
MW273.37 g/mol
LogP0.97
Rot. Bonds10

About 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one

3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one (PubChem CID 114508953) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
PubChem CID114508953
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
SMILESCCC1CN(CCOCCOCCOC)CCC1=O
InChIInChI=1S/C14H27NO4/c1-3-13-12-15(5-4-14(13)16)6-7-18-10-11-19-9-8-17-2/h13H,3-12H2,1-2H3
InChIKeySQMYQXISHNVAGE-UHFFFAOYSA-N
XLogP0.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 50.97
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

(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
CID 114508865
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-3-one
CID 104563220
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
CID 103179796
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one?
The IUPAC name of 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one (CID 114508953) is 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one?
The canonical SMILES for 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one is CCC1CN(CCOCCOCCOC)CCC1=O.
What is the InChIKey of 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one?
The InChIKey is SQMYQXISHNVAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-13-12-15(5-4-14(13)16)6-7-18-10-11-19-9-8-17-2/h13H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one?
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one has a molecular weight of 273.37 g/mol, XLogP of 0.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one is sourced from PubChem (CID 114508953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).