4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid

C15H17F3N2O3 — CID 175786628

IUPAC4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1CCN(C(=O)O)C(c2ccccc2)C1
InChIInChI=1S/C15H17F3N2O3/c1-19(13(21)15(16,17)18)11-7-8-20(14(22)23)12(9-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,22,23)
InChIKeySYVGATOLJBJBRX-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.89
Rot. Bonds2

About 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid

4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid (PubChem CID 175786628) has the molecular formula C15H17F3N2O3 and a molecular weight of 330.31 g/mol. Its IUPAC name is 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid
PubChem CID175786628
Molecular FormulaC15H17F3N2O3
Molecular Weight330.31 g/mol
Exact Mass330.12
IUPAC Name4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)C1CCN(C(=O)O)C(c2ccccc2)C1
InChIInChI=1S/C15H17F3N2O3/c1-19(13(21)15(16,17)18)11-7-8-20(14(22)23)12(9-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,22,23)
InChIKeySYVGATOLJBJBRX-UHFFFAOYSA-N
XLogP2.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-[(1-methylcyclopropyl)-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid
CID 174186239
2,2,2-trifluoro-N-methyl-N-[(2S,4R)-2-phenylpiperidin-4-yl]acetamide;hydrochloride
CID 167460247
tert-butyl (2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylate
CID 167460257
(2R,4S)-4-[carbamoyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878667
2,2,2-trifluoro-N-[(2S,4R)-2-(3-fluorophenyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 165142036
(2R,4S)-4-(dimethylamino)-2-(4-fluoro-2-methylphenyl)piperidine-1-carboxylic acid
CID 68878588
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 154715478
2-(4-fluorophenyl)-4-(trifluoromethoxy)piperidine-1-carboxylic acid
CID 135283990
2-(4-tert-butylphenyl)piperidine-1,4-dicarboxylic acid
CID 66732406
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
2-phenylaziridine-1-carboxylic acid
CID 87708946
(2R,4R)-4-(3-oxo-1,2-oxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
CID 141283127

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid (CID 175786628) is 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid is CN(C(=O)C(F)(F)F)C1CCN(C(=O)O)C(c2ccccc2)C1.
What is the InChIKey of 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid?
The InChIKey is SYVGATOLJBJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3/c1-19(13(21)15(16,17)18)11-7-8-20(14(22)23)12(9-11)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,22,23).
What are the key properties of 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid?
4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid has a molecular weight of 330.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2,2,2-trifluoroacetyl)amino]-2-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 175786628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).