4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid

C14H13F4NO3 — CID 23112413

IUPAC4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
SMILESO=C(c1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C14H13F4NO3/c15-11-2-1-9(14(16,17)18)7-10(11)12(20)8-3-5-19(6-4-8)13(21)22/h1-2,7-8H,3-6H2,(H,21,22)
InChIKeyQCJTUJAYVYHVQP-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.42
Rot. Bonds2

About 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid

4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid (PubChem CID 23112413) has the molecular formula C14H13F4NO3 and a molecular weight of 319.25 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
PubChem CID23112413
Molecular FormulaC14H13F4NO3
Molecular Weight319.25 g/mol
Exact Mass319.08
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid
SMILESO=C(c1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)O)CC1
InChIInChI=1S/C14H13F4NO3/c15-11-2-1-9(14(16,17)18)7-10(11)12(20)8-3-5-19(6-4-8)13(21)22/h1-2,7-8H,3-6H2,(H,21,22)
InChIKeyQCJTUJAYVYHVQP-UHFFFAOYSA-N
XLogP3.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Lenperone
CID 32593
4-Fluorophenyl 1-methylpiperidin-4-yl methanone
CID 826664
(1-Ethyl-piperidin-4-yl)-(4-fluoro-phenyl)-methanone
CID 12508857
1-Acetyl-4-(2',4'-difluorobenzoyl)piperidine
CID 2740707
1-(4-Fluoro-phenyl)-4-{4-[2-(4-fluoro-phenyl)-acetyl]-piperidin-1-yl}-butan-1-one
CID 10407739
2,2,2-Trifluoro-1-(4-benzoylpiperidin-1-YL)ethanone
CID 2740742
Propionamide, N,N-dimethyl-3-(m-(trifluoromethyl)benzoyl)-
CID 3022060
Piperazine, 1-(1,4-dioxo-4-(3-(trifluoromethyl)phenyl)butyl)-4-methyl-
CID 3022062
(1-Acetylpiperidin-3-yl)(2,5-difluorophenyl)methanone
CID 16190823
1-(4-Oxo-4-{3-[3-(trifluoromethyl)benzoyl]-1-piperidinyl}butyl)-2-pyrrolidinone
CID 16192146
1-{4-[3-(2,5-Difluorobenzoyl)-1-piperidinyl]-4-oxobutyl}-2-piperidinone
CID 16192184
(4-(4-Fluorobenzoyl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 46906282

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid (CID 23112413) is 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid is O=C(c1cc(C(F)(F)F)ccc1F)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid?
The InChIKey is QCJTUJAYVYHVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO3/c15-11-2-1-9(14(16,17)18)7-10(11)12(20)8-3-5-19(6-4-8)13(21)22/h1-2,7-8H,3-6H2,(H,21,22).
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid?
4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid has a molecular weight of 319.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 23112413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).