N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C20H19F3N2O2 — CID 142445131

IUPACN-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1C(=O)NCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-16(12)25-19(27)17-15(10-11-24-18(17)26)13-6-8-14(9-7-13)20(21,22)23/h2-9,15,17H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyPLSFYSWDSOHHKJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.87
Rot. Bonds3

About N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide

N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 142445131) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID142445131
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)C1C(=O)NCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-16(12)25-19(27)17-15(10-11-24-18(17)26)13-6-8-14(9-7-13)20(21,22)23/h2-9,15,17H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyPLSFYSWDSOHHKJ-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 165061569
4-[4-[difluoro(phosphanyl)methyl]phenyl]-N-(2-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 170046491
N-(2,3-difluorophenyl)-4-(3-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 158374692
(3S,4S)-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411972
(6R)-3,4-dimethyl-N-(2-methylphenyl)-2-sulfanylidene-6-[4-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carboxamide
CID 11922933
(3R,4S)-4-(3,5-dimethylphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134411830
(3S,4S)-N-(2-cyclopropylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134415963
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;(3R)-4-(4-fluorophenyl)-N-(2-methylphenyl)-2-oxopiperidine-3-carboxamide
CID 157240963
(3S,4S)-N-(2-fluoro-3-pyridinyl)-1-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412691
(3R,4R)-N-(3-bromo-2-methylphenyl)-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 134412466
(3R,4R)-N-(2-fluorophenyl)-2-oxo-4-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 134411870

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 142445131) is N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1ccccc1NC(=O)C1C(=O)NCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PLSFYSWDSOHHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-12-4-2-3-5-16(12)25-19(27)17-15(10-11-24-18(17)26)13-6-8-14(9-7-13)20(21,22)23/h2-9,15,17H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 376.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-oxo-4-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 142445131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).