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

C14H17FN2O3 — CID 107793053

IUPAC2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCN(C(=O)Nc2ccc(C(=O)O)c(F)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-9-4-6-17(7-5-9)14(20)16-10-2-3-11(13(18)19)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyRMJRDPDNPGJKKQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.79
Rot. Bonds2

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

2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 107793053) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID107793053
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CCN(C(=O)Nc2ccc(C(=O)O)c(F)c2)CC1
InChIInChI=1S/C14H17FN2O3/c1-9-4-6-17(7-5-9)14(20)16-10-2-3-11(13(18)19)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyRMJRDPDNPGJKKQ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
3-ethyl-N-(3-fluoro-4-methylphenyl)-6-methylazocane-1-carboxamide
CID 144845910
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid (CID 107793053) is 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid is CC1CCN(C(=O)Nc2ccc(C(=O)O)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is RMJRDPDNPGJKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-4-6-17(7-5-9)14(20)16-10-2-3-11(13(18)19)12(15)8-10/h2-3,8-9H,4-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid?
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107793053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).