[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

C26H26F3N3O — CID 67178860

IUPAC[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cccc(C)c1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C26H26F3N3O/c1-17-7-3-4-10-21(17)22-11-5-8-18(2)24(22)25(33)32-14-6-9-20(16-32)31-23-13-12-19(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,20H,6,9,14,16H2,1-2H3,(H,30,31)
InChIKeyNZIDVKINPULOLF-UHFFFAOYSA-N
MW453.51 g/mol
LogP6.10
Rot. Bonds4

About [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 67178860) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID67178860
Molecular FormulaC26H26F3N3O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1ccccc1-c1cccc(C)c1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C26H26F3N3O/c1-17-7-3-4-10-21(17)22-11-5-8-18(2)24(22)25(33)32-14-6-9-20(16-32)31-23-13-12-19(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,20H,6,9,14,16H2,1-2H3,(H,30,31)
InChIKeyNZIDVKINPULOLF-UHFFFAOYSA-N
XLogP6.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178862
[4-methyl-2-(triazol-2-yl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503161
(3-ethoxy-6-methyl-2-pyridinyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 134503175
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
[3-(methylamino)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119493676
N-[(3R,5R)-3,5-dimethylcyclohexyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97030726
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025653
1H-indol-7-yl-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]-3-azabicyclo[5.1.0]octan-3-yl]methanone
CID 123493264
tert-butyl 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 58563967
[4-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone
CID 134503433
(5-fluoro-2-pyrimidin-2-ylphenyl)-[3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 134503225
N-piperidin-4-yl-5-(trifluoromethyl)pyridin-2-amine;trihydrochloride
CID 86276661

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 67178860) is [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is Cc1ccccc1-c1cccc(C)c1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is NZIDVKINPULOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O/c1-17-7-3-4-10-21(17)22-11-5-8-18(2)24(22)25(33)32-14-6-9-20(16-32)31-23-13-12-19(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,20H,6,9,14,16H2,1-2H3,(H,30,31).
What are the key properties of [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 453.51 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 67178860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).