4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid

C13H15FN2O3 — CID 61157573

IUPAC4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H15FN2O3/c14-9-1-2-10(13(18)19)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H,16,17)(H,18,19)
InChIKeyHUCOOXFPLIOWRV-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.46
Rot. Bonds3

About 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid

4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid (PubChem CID 61157573) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
PubChem CID61157573
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C13H15FN2O3/c14-9-1-2-10(13(18)19)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H,16,17)(H,18,19)
InChIKeyHUCOOXFPLIOWRV-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
N-(2-amino-5-fluorophenyl)piperidine-4-carboxamide
CID 110482325
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119316629
2-[(2-aminocyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 64822060
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675630
2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-fluorobenzoic acid
CID 107175114
2-[(2-bromoacetyl)amino]-4-fluorobenzoic acid
CID 18929235

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid (CID 61157573) is 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid is O=C(O)c1ccc(F)cc1NC(=O)C1CCNCC1.
What is the InChIKey of 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid?
The InChIKey is HUCOOXFPLIOWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-1-2-10(13(18)19)11(7-9)16-12(17)8-3-5-15-6-4-8/h1-2,7-8,15H,3-6H2,(H,16,17)(H,18,19).
What are the key properties of 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid?
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid has a molecular weight of 266.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 61157573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).