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

C15H19F3N2O — CID 120620558

IUPAC(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)[C@H]2CCN[C@@H](C)C2)cccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-9-8-11(6-7-19-9)14(21)20-13-5-3-4-12(10(13)2)15(16,17)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1
InChIKeyQJAUXUVFGIEQNV-ONGXEEELSA-N
MW300.32 g/mol
LogP3.34
Rot. Bonds2

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

(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 120620558) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID120620558
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)[C@H]2CCN[C@@H](C)C2)cccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-9-8-11(6-7-19-9)14(21)20-13-5-3-4-12(10(13)2)15(16,17)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1
InChIKeyQJAUXUVFGIEQNV-ONGXEEELSA-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-fluoro-2-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620625
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 120620303
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(2S,4S)-N-(2,1,3-benzoxadiazol-4-yl)-2-methylpiperidine-4-carboxamide
CID 126829213
N-[2-methyl-3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 119709153
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 120620558) is (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is Cc1c(NC(=O)[C@H]2CCN[C@@H](C)C2)cccc1C(F)(F)F.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is QJAUXUVFGIEQNV-ONGXEEELSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-9-8-11(6-7-19-9)14(21)20-13-5-3-4-12(10(13)2)15(16,17)18/h3-5,9,11,19H,6-8H2,1-2H3,(H,20,21)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-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-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120620558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).