1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid

C13H15FN2O3 — CID 43656956

IUPAC1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(N2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-7-8(12(15)17)4-5-10(9)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H2,15,17)(H,18,19)
InChIKeySYHUHELABMBYTP-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid

1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid (PubChem CID 43656956) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
PubChem CID43656956
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(N2CCCCC2C(=O)O)c(F)c1
InChIInChI=1S/C13H15FN2O3/c14-9-7-8(12(15)17)4-5-10(9)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H2,15,17)(H,18,19)
InChIKeySYHUHELABMBYTP-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbamoyl-2-fluorophenyl)thiomorpholine-3-carboxylic acid
CID 82904159
1-(2,4-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 82538014
1-(4-cyano-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656955
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
3-[4-(2-carbamoylpiperidin-1-yl)-3-fluorophenyl]prop-2-enoic acid
CID 76910209
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 63371325
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
CID 702752
1-[4-(2-ethylazepan-1-yl)-3-fluorophenyl]ethanone
CID 104690171
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid (CID 43656956) is 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid is NC(=O)c1ccc(N2CCCCC2C(=O)O)c(F)c1.
What is the InChIKey of 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid?
The InChIKey is SYHUHELABMBYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-7-8(12(15)17)4-5-10(9)16-6-2-1-3-11(16)13(18)19/h4-5,7,11H,1-3,6H2,(H2,15,17)(H,18,19).
What are the key properties of 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid?
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43656956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).