1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

C14H17FN2O3 — CID 61192061

IUPAC1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-9-5-6-10(15)8-11(9)16-14(20)17-7-3-2-4-12(17)13(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOBLRAAFOQFCKQQ-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.61
Rot. Bonds2

About 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid

1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 61192061) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID61192061
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C14H17FN2O3/c1-9-5-6-10(15)8-11(9)16-14(20)17-7-3-2-4-12(17)13(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOBLRAAFOQFCKQQ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61191042
(2S)-2-N-[dimethyl(oxo)-λ6-sulfanylidene]-1-N-(5-fluoro-2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 126831359
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441356
(2S)-1-[(5-cyano-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62105065
(2R,4R)-1-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000168
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(2,3,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62812905
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
N-(5-fluoro-2-methylphenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 56894380
(2R)-1-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922581
1-[(4-bromo-3,5-dimethylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 107576358

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid (CID 61192061) is 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is Cc1ccc(F)cc1NC(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is OBLRAAFOQFCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-5-6-10(15)8-11(9)16-14(20)17-7-3-2-4-12(17)13(18)19/h5-6,8,12H,2-4,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid?
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 61192061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).