Ethyl 4-oxo-1-piperidinecarboxylate

Ethyl 4-oxo-1-piperidinecarboxylate is a chemical compound registered under number CAS 29976-53-2, with the molecular formula C₈H₁₃NO₃, and a molar mass of 171.19 g/mol.

The molecule contains 25 atoms connected by 25 chemical bonds. The full systematic IUPAC name of this compound is ethyl 4-oxopiperidine-1-carboxylate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = -0.1 (negative value, a hydrophilic compound), polar surface area PSA = 46.6 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C8H13NO3
Masa molowa	171.19 g/mol
IUPAC	ethyl 4-oxopiperidine-1-carboxylate
SMILES	CCOC(=O)N1CCC(=O)CC1
InChIKey	LUBGFMZTGFXIIN-UHFFFAOYSA-N
logP (XLogP3)	-0.1
PSA	46.6 Ų
HBD / HBA	0 / 3
PubChem CID	CID 34767 ↗

Signal word: Danger

N-Carbethoxy-4-piperidone · 29976-53-2 · Ethyl 4-oxopiperidine-1-carboxylate · Ethyl 4-oxo-1-piperidinecarboxylate · 1-Carbethoxy-4-piperidone · N-Carboethoxy-4-piperidone · 4-Oxo-1-piperidinecarboxylic acid ethyl ester · 1-(Ethoxycarbonyl)-4-piperidone · N-Ethoxycarbonyl-4-piperidone · 1-Ethoxycarbonyl-4-piperidinone · UNII-7H5JX1S259 · N-Ethoxycarbonyl-4-piperidinone · 7H5JX1S259 · EINECS 249-984-5 · NSC-139022

• 📊 PubChem CID 34767 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność