4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid

C13H16FN3O3 — CID 61402803

IUPAC4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cc(C(=O)O)ccc1F)NC1CCNCC1
InChIInChI=1S/C13H16FN3O3/c14-10-2-1-8(12(18)19)7-11(10)17-13(20)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,18,19)(H2,16,17,20)
InChIKeyANYFWSKVBQMSBN-UHFFFAOYSA-N
MW281.29 g/mol
LogP1.40
Rot. Bonds3

About 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid

4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid (PubChem CID 61402803) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
PubChem CID61402803
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid
SMILESO=C(Nc1cc(C(=O)O)ccc1F)NC1CCNCC1
InChIInChI=1S/C13H16FN3O3/c14-10-2-1-8(12(18)19)7-11(10)17-13(20)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,18,19)(H2,16,17,20)
InChIKeyANYFWSKVBQMSBN-UHFFFAOYSA-N
XLogP1.40
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-(piperidin-4-ylcarbamoylamino)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

1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
3-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-4-fluorobenzoic acid
CID 61202693
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[(3R)-pyrrolidin-3-yl]urea
CID 74233216
4-fluoro-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223434
4-fluoro-3-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 62410543
4-fluoro-3-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61190333
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
1-cyclobutyl-3-[2-fluoro-4-(piperazine-1-carbonyl)phenyl]urea
CID 66661134
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
3-fluoro-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 103064167
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-piperidin-4-ylurea
CID 118409077

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid?
The IUPAC name of 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid (CID 61402803) is 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid is O=C(Nc1cc(C(=O)O)ccc1F)NC1CCNCC1.
What is the InChIKey of 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid?
The InChIKey is ANYFWSKVBQMSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c14-10-2-1-8(12(18)19)7-11(10)17-13(20)16-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid?
4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid has a molecular weight of 281.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(piperidin-4-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61402803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).