ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate

C14H16N2O4 — CID 167584122

IUPACethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cncc(N2CCC(=O)CC2=O)c1
InChIInChI=1S/C14H16N2O4/c1-2-20-14(19)6-10-5-11(9-15-8-10)16-4-3-12(17)7-13(16)18/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYSYSZTJRLFMOAS-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.88
Rot. Bonds4

About ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate

ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate (PubChem CID 167584122) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
PubChem CID167584122
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cncc(N2CCC(=O)CC2=O)c1
InChIInChI=1S/C14H16N2O4/c1-2-20-14(19)6-10-5-11(9-15-8-10)16-4-3-12(17)7-13(16)18/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYSYSZTJRLFMOAS-UHFFFAOYSA-N
XLogP0.88
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1-methyl-6-oxopyridazin-4-yl)acetate
CID 155796907
ethyl 2-(3,5-dioxocyclohepten-1-yl)acetate
CID 44632466
tert-butyl 2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetate
CID 66869311
ethyl 2-[4-amino-3-(aminomethyl)phenyl]acetate
CID 174585118
N-(2,4-dioxocyclohexyl)-N-methyl-2-(5-piperazin-1-yl-3-pyridinyl)acetamide
CID 165087943
1-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-2,4-dione
CID 79517733
ethyl 2-isoquinolin-6-ylacetate
CID 53408596
ethyl 2-amino-5-(2-oxopiperidin-1-yl)pyridine-3-carboxylate
CID 53419442
ethyl 2-(3-methyl-4-sulfanylphenyl)acetate
CID 123806399
ethyl 2-[5-amino-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133098329
1-[4-(2-ethoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 134159277
ethyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]butanoate
CID 37259431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate (CID 167584122) is ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate is CCOC(=O)Cc1cncc(N2CCC(=O)CC2=O)c1.
What is the InChIKey of ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate?
The InChIKey is YSYSZTJRLFMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-20-14(19)6-10-5-11(9-15-8-10)16-4-3-12(17)7-13(16)18/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate?
ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate has a molecular weight of 276.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate is sourced from PubChem (CID 167584122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).