4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid

C14H17FN2O3 — CID 62675630

IUPAC4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCNC1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyXEEMPWPRRJJEDF-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds4

About 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid

4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid (PubChem CID 62675630) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
PubChem CID62675630
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCCNC1)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18)(H,19,20)
InChIKeyXEEMPWPRRJJEDF-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropylacetyl)amino]-4-fluorobenzoic acid
CID 43358568
2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675414
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
4-chloro-3-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675976
4-fluoro-2-(piperidine-4-carbonylamino)benzoic acid
CID 61157573
4-fluoro-2-[(2-piperazin-1-ylacetyl)amino]benzoic acid
CID 61157931
2-fluoro-4-(3-piperidin-3-ylpropanoylamino)benzoic acid
CID 107795108
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
N-(2-iodophenyl)-2-piperidin-3-ylacetamide
CID 62676298
N-(3-chloro-5-fluorophenyl)-2-piperidin-3-ylacetamide
CID 107365833
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
N-(2-chloro-5-iodophenyl)-2-piperidin-3-ylacetamide
CID 114259816

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid (CID 62675630) is 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid is O=C(CC1CCCNC1)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
The InChIKey is XEEMPWPRRJJEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-10-3-4-11(14(19)20)12(7-10)17-13(18)6-9-2-1-5-16-8-9/h3-4,7,9,16H,1-2,5-6,8H2,(H,17,18)(H,19,20).
What are the key properties of 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid?
4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-piperidin-3-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 62675630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).