5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid

C14H17FN2O3 — CID 61186602

IUPAC5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCCN1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyYHNIPYUUSPXXLX-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.93
Rot. Bonds2

About 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid

5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61186602) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61186602
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCCCN1C(=O)Nc1ccc(F)cc1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyYHNIPYUUSPXXLX-UHFFFAOYSA-N
XLogP2.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074188
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
3-fluoro-2-[(2-methylazepane-1-carbonyl)amino]benzoic acid
CID 81499089
1-[(2-bromo-4-fluorophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106743945
1-[(4-fluoro-2-iodophenyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744420
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid (CID 61186602) is 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCCCN1C(=O)Nc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is YHNIPYUUSPXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-4-2-3-7-17(9)14(20)16-12-6-5-10(15)8-11(12)13(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid?
5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61186602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).