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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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).