6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid

C18H19N3O4 — CID 83971618

IUPAC6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1
InChIInChI=1S/C18H19N3O4/c22-17(13-25-15-4-2-1-3-5-15)21-10-8-20(9-11-21)16-7-6-14(12-19-16)18(23)24/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeyMXFSQEQCBZPJHO-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.51
Rot. Bonds5

About 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid

6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 83971618) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID83971618
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1
InChIInChI=1S/C18H19N3O4/c22-17(13-25-15-4-2-1-3-5-15)21-10-8-20(9-11-21)16-7-6-14(12-19-16)18(23)24/h1-7,12H,8-11,13H2,(H,23,24)
InChIKeyMXFSQEQCBZPJHO-UHFFFAOYSA-N
XLogP1.51
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 167796774
2-(4-chlorophenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772499
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 91968699
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 83971618) is 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(C(=O)COc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MXFSQEQCBZPJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-17(13-25-15-4-2-1-3-5-15)21-10-8-20(9-11-21)16-7-6-14(12-19-16)18(23)24/h1-7,12H,8-11,13H2,(H,23,24).
What are the key properties of 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid?
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83971618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).