(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C15H19F3N2O — CID 120619247

IUPAC(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-9-3-4-12(8-13(9)15(16,17)18)20-14(21)11-5-6-19-10(2)7-11/h3-4,8,10-11,19H,5-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyPGAJJUXCVIRUQU-QWRGUYRKSA-N
MW300.32 g/mol
LogP3.34
Rot. Bonds2

About (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 120619247) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID120619247
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-9-3-4-12(8-13(9)15(16,17)18)20-14(21)11-5-6-19-10(2)7-11/h3-4,8,10-11,19H,5-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyPGAJJUXCVIRUQU-QWRGUYRKSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55773022
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 120619247) is (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1C(F)(F)F.
What is the InChIKey of (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is PGAJJUXCVIRUQU-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-3-4-12(8-13(9)15(16,17)18)20-14(21)11-5-6-19-10(2)7-11/h3-4,8,10-11,19H,5-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120619247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).