4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid

C13H16N2O4 — CID 82147640

IUPAC4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(15-7-5-14-6-8-15)9-19-11-3-1-10(2-4-11)13(17)18/h1-4,14H,5-9H2,(H,17,18)
InChIKeyMUJRZNHTDXAOPM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.20
Rot. Bonds4

About 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid

4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid (PubChem CID 82147640) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
PubChem CID82147640
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C13H16N2O4/c16-12(15-7-5-14-6-8-15)9-19-11-3-1-10(2-4-11)13(17)18/h1-4,14H,5-9H2,(H,17,18)
InChIKeyMUJRZNHTDXAOPM-UHFFFAOYSA-N
XLogP0.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
1-(1,4-diazepan-1-yl)-2-(4-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119417235
1-piperazin-1-yl-2-[4-(triazol-1-yl)phenoxy]ethanone
CID 67980822
1-[4-(2-oxo-2-piperazin-1-ylethoxy)phenyl]-1,3-diazinane-2,4-dione
CID 167478438
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
2-(4-benzoylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578085
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid?
The IUPAC name of 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid (CID 82147640) is 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid?
The canonical SMILES for 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid is O=C(O)c1ccc(OCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid?
The InChIKey is MUJRZNHTDXAOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(15-7-5-14-6-8-15)9-19-11-3-1-10(2-4-11)13(17)18/h1-4,14H,5-9H2,(H,17,18).
What are the key properties of 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid?
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 82147640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).