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

C13H15FN2O4 — CID 61439185

IUPAC4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H15FN2O4/c14-8-3-4-10(12(18)19)11(6-8)15-13(20)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,20)(H,18,19)
InChIKeyKJGINOFYMAUTGJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.51
Rot. Bonds2

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

4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61439185) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61439185
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(F)cc1NC(=O)N1CCCC(O)C1
InChIInChI=1S/C13H15FN2O4/c14-8-3-4-10(12(18)19)11(6-8)15-13(20)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,20)(H,18,19)
InChIKeyKJGINOFYMAUTGJ-UHFFFAOYSA-N
XLogP1.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169
N-(5-fluoro-2-phenoxyphenyl)-3-hydroxypiperidine-1-carboxamide
CID 110929977
2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-4-fluorobenzoic acid
CID 61186692
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
4-fluoro-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 65363899
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
3-hydroxy-4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61435039
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid (CID 61439185) is 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is O=C(O)c1ccc(F)cc1NC(=O)N1CCCC(O)C1.
What is the InChIKey of 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is KJGINOFYMAUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-8-3-4-10(12(18)19)11(6-8)15-13(20)16-5-1-2-9(17)7-16/h3-4,6,9,17H,1-2,5,7H2,(H,15,20)(H,18,19).
What are the key properties of 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid?
4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 282.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61439185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).