1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid

C16H20FNO3 — CID 119176277

IUPAC1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
SMILESCC(Cc1ccccc1F)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-11(10-12-6-2-3-7-13(12)17)15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyZGSFKRHFKBHYBD-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.47
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid

1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid (PubChem CID 119176277) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
PubChem CID119176277
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
SMILESCC(Cc1ccccc1F)C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C16H20FNO3/c1-11(10-12-6-2-3-7-13(12)17)15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyZGSFKRHFKBHYBD-UHFFFAOYSA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(2R)-4-(2-fluorophenyl)-2-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 124692471
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
(2R)-1-[(2S)-2-(2-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99639784
3-(2-fluorophenyl)-2-methyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651746
(2S)-1-[(3R)-3-(2-fluorophenyl)butanoyl]piperidine-2-carboxylic acid
CID 99639914
(2S)-1-[3-(2-fluorophenyl)-2-methylpropanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304965
1-(2-methyl-4-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 119176352
(2R)-1-[(2R)-2-methyl-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 59901710
4-[4-(2-fluorophenyl)-2-methylbutanoyl]morpholine-3-carboxylic acid
CID 119216750
(2R)-1-[(2S)-2-(aminomethyl)piperidin-1-yl]-4-(2-fluorophenyl)-2-methylbutan-1-one
CID 124692467
1-[2-(4-phenylbutan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 58641902
3-(2-fluorophenyl)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 110306138

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid (CID 119176277) is 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid is CC(Cc1ccccc1F)C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid?
The InChIKey is ZGSFKRHFKBHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(10-12-6-2-3-7-13(12)17)15(19)18-9-5-4-8-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21).
What are the key properties of 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid?
1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).