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

C14H17FN2O3 — CID 63188094

IUPAC3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-8-10(14(19)20)1-2-12(11)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20)
InChIKeyMHUFALBDRXPRNY-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds4

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

3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid (PubChem CID 63188094) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
PubChem CID63188094
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
SMILESO=C(CC1CCNCC1)Nc1ccc(C(=O)O)cc1F
InChIInChI=1S/C14H17FN2O3/c15-11-8-10(14(19)20)1-2-12(11)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20)
InChIKeyMHUFALBDRXPRNY-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 3-fluoro-4-[(2-piperidin-4-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

4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
N-(2,4-difluorophenyl)-2-piperidin-4-ylacetamide
CID 24692446
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
4-chloro-2-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 61158830
N-(4-carbamothioyl-2-fluorophenyl)-2-cyclobutylacetamide
CID 103163742
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
4-[[2-(cyclopentylamino)acetyl]amino]-3-fluorobenzoic acid
CID 63187706
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 82812101
methyl 5-fluoro-2-[(2-piperidin-4-ylacetyl)amino]benzoate
CID 61030182

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid (CID 63188094) is 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid is O=C(CC1CCNCC1)Nc1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
The InChIKey is MHUFALBDRXPRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-11-8-10(14(19)20)1-2-12(11)17-13(18)7-9-3-5-16-6-4-9/h1-2,8-9,16H,3-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid?
3-fluoro-4-[(2-piperidin-4-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 3-fluoro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 63188094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).