[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

C14H19N3O4 — CID 23802850

IUPAC[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCN(CCO)CC1)c1cccnc1
InChIInChI=1S/C14H19N3O4/c18-9-8-16-4-6-17(7-5-16)13(19)11-21-14(20)12-2-1-3-15-10-12/h1-3,10,18H,4-9,11H2
InChIKeySTSWBNJOHVGCEJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.63
Rot. Bonds5

About [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate

[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 23802850) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
PubChem CID23802850
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCN(CCO)CC1)c1cccnc1
InChIInChI=1S/C14H19N3O4/c18-9-8-16-4-6-17(7-5-16)13(19)11-21-14(20)12-2-1-3-15-10-12/h1-3,10,18H,4-9,11H2
InChIKeySTSWBNJOHVGCEJ-UHFFFAOYSA-N
XLogP-0.63
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 23971811
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9045580
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397
2-oxopropyl pyridine-3-carboxylate
CID 69192363
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[2-(4-methylpiperazin-1-yl)-2-oxoethyl] benzoate
CID 14033043
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086683
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] pyridine-3-carboxylate
CID 9414174
bis((Z)-but-2-enedioic acid);2-(4-methylpiperazin-1-yl)ethyl pyridine-3-carboxylate
CID 6434550
[2-(4-ethylpiperazin-1-yl)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23943754

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate (CID 23802850) is [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is O=C(OCC(=O)N1CCN(CCO)CC1)c1cccnc1.
What is the InChIKey of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is STSWBNJOHVGCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-9-8-16-4-6-17(7-5-16)13(19)11-21-14(20)12-2-1-3-15-10-12/h1-3,10,18H,4-9,11H2.
What are the key properties of [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate?
[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 23802850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).