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

C14H14F3NO3 — CID 51518671

IUPAC(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-6-2-1-5-10(11)12(19)18-7-3-4-9(8-18)13(20)21/h1-2,5-6,9H,3-4,7-8H2,(H,20,21)/t9-/m1/s1
InChIKeyFRULZCMYOCODQH-SECBINFHSA-N
MW301.26 g/mol
LogP2.64
Rot. Bonds2

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

(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (PubChem CID 51518671) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
PubChem CID51518671
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)11-6-2-1-5-10(11)12(19)18-7-3-4-9(8-18)13(20)21/h1-2,5-6,9H,3-4,7-8H2,(H,20,21)/t9-/m1/s1
InChIKeyFRULZCMYOCODQH-SECBINFHSA-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

1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid (CID 51518671) is (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is FRULZCMYOCODQH-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)11-6-2-1-5-10(11)12(19)18-7-3-4-9(8-18)13(20)21/h1-2,5-6,9H,3-4,7-8H2,(H,20,21)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(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 (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 51518671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).