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

Name: Ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₆N₂O₄ — CID 167584122

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
PubChem CID	167584122
Molecular Formula	C₁₄H₁₆N₂O₄
Molecular Weight	276.29 g/mol
Exact Mass	276.11
IUPAC Name	ethyl 2-[5-(2,4-dioxopiperidin-1-yl)-3-pyridinyl]acetate
SMILES	CCOC(=O)Cc1cncc(N2CCC(=O)CC2=O)c1
InChI	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
InChIKey	YSYSZTJRLFMOAS-UHFFFAOYSA-N
XLogP	0.88
TPSA	76.57 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.29
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 167584122 — identifiers, structure, computed properties (public domain)

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