ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate

C16H23N3O4 — CID 138983049

IUPACethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCN(CCOC(C)=O)CC2)n1
InChIInChI=1S/C16H23N3O4/c1-3-22-16(21)14-5-4-6-15(17-14)19-9-7-18(8-10-19)11-12-23-13(2)20/h4-6H,3,7-12H2,1-2H3
InChIKeyWCEQKTIWSTWKMV-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.94
Rot. Bonds6

About ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate

ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate (PubChem CID 138983049) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate
PubChem CID138983049
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nameethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(N2CCN(CCOC(C)=O)CC2)n1
InChIInChI=1S/C16H23N3O4/c1-3-22-16(21)14-5-4-6-15(17-14)19-9-7-18(8-10-19)11-12-23-13(2)20/h4-6H,3,7-12H2,1-2H3
InChIKeyWCEQKTIWSTWKMV-UHFFFAOYSA-N
XLogP0.94
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate 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

[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487516
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487801
US11584748, Example 32
CID 146198245
Ethyl 6-Aminopyridine-2-carboxylate
CID 11959065
Methyl 6-aminopyridine-2-carboxylate
CID 13809143
6-(Morpholin-4-yl)pyridine-2-carboxaldehyde
CID 18525735
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
Propan-2-YL 6-[(6-{6-[(propan-2-yloxy)carbonyl]pyridine-2-amido}pyridin-2-YL)carbamoyl]pyridine-2-carboxylate
CID 4684432
Ethyl 6-aminopyridine-2-carboxylate hydrochloride
CID 23437674
6-(Dimethylamino)picolinic acid
CID 53408411
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
Tert-butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate
CID 66545194

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate (CID 138983049) is ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(N2CCN(CCOC(C)=O)CC2)n1.
What is the InChIKey of ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate?
The InChIKey is WCEQKTIWSTWKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-22-16(21)14-5-4-6-15(17-14)19-9-7-18(8-10-19)11-12-23-13(2)20/h4-6H,3,7-12H2,1-2H3.
What are the key properties of ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate?
ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(2-acetyloxyethyl)piperazin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 138983049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).