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

C17H16FN3O3 — CID 110397164

IUPAC2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H16FN3O3/c18-14-6-2-1-4-12(14)16(22)21-10-8-20(9-11-21)15-13(17(23)24)5-3-7-19-15/h1-7H,8-11H2,(H,23,24)
InChIKeyMEYCHGLUUNMHPI-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.88
Rot. Bonds3

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

2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 110397164) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID110397164
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H16FN3O3/c18-14-6-2-1-4-12(14)16(22)21-10-8-20(9-11-21)15-13(17(23)24)5-3-7-19-15/h1-7H,8-11H2,(H,23,24)
InChIKeyMEYCHGLUUNMHPI-UHFFFAOYSA-N
XLogP1.88
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397204
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(2-fluorophenyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292349
ethyl 2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 110397164) is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MEYCHGLUUNMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-14-6-2-1-4-12(14)16(22)21-10-8-20(9-11-21)15-13(17(23)24)5-3-7-19-15/h1-7H,8-11H2,(H,23,24).
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 329.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110397164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).