1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid

C14H14F3NO3 — CID 43080840

IUPAC1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-5-1-3-9(7-11)12(19)18-6-2-4-10(8-18)13(20)21/h1,3,5,7,10H,2,4,6,8H2,(H,20,21)
InChIKeyIGNXFZBNERKZJB-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.64
Rot. Bonds2

About 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid

1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 43080840) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID43080840
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-5-1-3-9(7-11)12(19)18-6-2-4-10(8-18)13(20)21/h1,3,5,7,10H,2,4,6,8H2,(H,20,21)
InChIKeyIGNXFZBNERKZJB-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 42392398
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(2-methylsulfanylphenyl)-[1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 45200802
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3-aminopyrrolidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119483027
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (CID 43080840) is 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is IGNXFZBNERKZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)11-5-1-3-9(7-11)12(19)18-6-2-4-10(8-18)13(20)21/h1,3,5,7,10H,2,4,6,8H2,(H,20,21).
What are the key properties of 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43080840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).