3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid

C14H17FN2O4 — CID 81498008

IUPAC3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1(O)CCN(C(=O)Nc2c(F)cccc2C(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c1-14(21)5-7-17(8-6-14)13(20)16-11-9(12(18)19)3-2-4-10(11)15/h2-4,21H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeySNSYSENFAKCDMK-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.90
Rot. Bonds2

About 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid

3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 81498008) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID81498008
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1(O)CCN(C(=O)Nc2c(F)cccc2C(=O)O)CC1
InChIInChI=1S/C14H17FN2O4/c1-14(21)5-7-17(8-6-14)13(20)16-11-9(12(18)19)3-2-4-10(11)15/h2-4,21H,5-8H2,1H3,(H,16,20)(H,18,19)
InChIKeySNSYSENFAKCDMK-UHFFFAOYSA-N
XLogP1.90
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)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-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-fluorobenzoic acid
CID 81497654
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
CID 134177696
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 81498187
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
5-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 81108634
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
N-(2-amino-6-fluorophenyl)pyrrolidine-1-carboxamide
CID 81310935
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-fluorobenzoic acid
CID 115438100
3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 91552167

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid (CID 81498008) is 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid is CC1(O)CCN(C(=O)Nc2c(F)cccc2C(=O)O)CC1.
What is the InChIKey of 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is SNSYSENFAKCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-14(21)5-7-17(8-6-14)13(20)16-11-9(12(18)19)3-2-4-10(11)15/h2-4,21H,5-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid?
3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81498008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).