methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate

C15H16F3NO3 — CID 97355286

IUPACmethyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)10-5-4-8-19(9-10)13(20)11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyPUJNQQYTRFRNBB-SNVBAGLBSA-N
MW315.29 g/mol
LogP2.73
Rot. Bonds2

About methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate

methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate (PubChem CID 97355286) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
PubChem CID97355286
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Namemethyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C15H16F3NO3/c1-22-14(21)10-5-4-8-19(9-10)13(20)11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyPUJNQQYTRFRNBB-SNVBAGLBSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
morpholin-4-yl-[1-[2-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 55517643
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969287
methyl 2-[(3S)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]sulfanylacetate
CID 99982155

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate (CID 97355286) is methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate is COC(=O)[C@@H]1CCCN(C(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate?
The InChIKey is PUJNQQYTRFRNBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-22-14(21)10-5-4-8-19(9-10)13(20)11-6-2-3-7-12(11)15(16,17)18/h2-3,6-7,10H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate?
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate has a molecular weight of 315.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate is sourced from PubChem (CID 97355286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).