1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid

C14H14F3NO3 — CID 43079381

IUPAC1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21)
InChIKeyGFWPIHXMEISUJX-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.78
Rot. Bonds2

About 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid

1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid (PubChem CID 43079381) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
PubChem CID43079381
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21)
InChIKeyGFWPIHXMEISUJX-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 42950684
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
[(2R)-1-[3-(trifluoromethyl)benzoyl]piperidin-2-yl]methylurea
CID 95294540
1-[3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243426

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid (CID 43079381) is 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is GFWPIHXMEISUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)10-5-3-4-9(8-10)12(19)18-7-2-1-6-11(18)13(20)21/h3-5,8,11H,1-2,6-7H2,(H,20,21).
What are the key properties of 1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid?
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 301.26 g/mol, XLogP of 2.78, 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-2-carboxylic acid is sourced from PubChem (CID 43079381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).