ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate

C12H21NO4 — CID 114501184

IUPACethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate
SMILESCCOC(=O)COCCN1CCC(=O)C(C)C1
InChIInChI=1S/C12H21NO4/c1-3-17-12(15)9-16-7-6-13-5-4-11(14)10(2)8-13/h10H,3-9H2,1-2H3
InChIKeyRHYLLKZWMRIRRX-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.48
Rot. Bonds6

About ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate

ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate (PubChem CID 114501184) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate
PubChem CID114501184
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate
SMILESCCOC(=O)COCCN1CCC(=O)C(C)C1
InChIInChI=1S/C12H21NO4/c1-3-17-12(15)9-16-7-6-13-5-4-11(14)10(2)8-13/h10H,3-9H2,1-2H3
InChIKeyRHYLLKZWMRIRRX-UHFFFAOYSA-N
XLogP0.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[2-[3-(trifluoromethyl)piperidin-1-yl]ethoxy]acetate
CID 80190031
2-Piperidin-1-ylethyl 2-(2-methoxyethoxy)acetate
CID 66705455
2-Piperidin-1-ylethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 66705613
2-Piperidin-1-ylethyl 2-acetyloxyacetate
CID 68196456
(3-Methyl-2-oxobutyl) 2-piperidin-1-ylacetate
CID 68263056
2-Methyl-1-(4-methylmorpholin-2-yl)propan-1-one
CID 79077802
1-(2-Ethoxyethyl)-1-methylpiperidin-1-ium;2-methoxyacetate
CID 118645180
1-O-(2-piperidin-1-ylethyl) 2-O-propan-2-yl oxalate
CID 132042453
2-O-[(2R)-3,3-dimethylbutan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate
CID 132042580
ethane;1-O-(2-piperidin-1-ylethyl) 2-O-propan-2-yl oxalate
CID 145065770
2-O-[(2R)-3-methylpentan-2-yl] 1-O-(2-piperidin-1-ylethyl) oxalate
CID 145065916
[3-(4-Methylpiperidin-1-yl)-2-propanoyloxypropyl] propanoate
CID 156204168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate (CID 114501184) is ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate is CCOC(=O)COCCN1CCC(=O)C(C)C1.
What is the InChIKey of ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate?
The InChIKey is RHYLLKZWMRIRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-12(15)9-16-7-6-13-5-4-11(14)10(2)8-13/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate?
ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate has a molecular weight of 243.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methyl-4-oxopiperidin-1-yl)ethoxy]acetate is sourced from PubChem (CID 114501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).