(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

C26H26F3N3O — CID 67178862

IUPAC(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCCC(Nc3ccc(C(F)(F)F)cn3)C2)c1C
InChIInChI=1S/C26H26F3N3O/c1-17-10-12-22(19-7-4-3-5-8-19)24(18(17)2)25(33)32-14-6-9-21(16-32)31-23-13-11-20(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,30,31)
InChIKeyNVMXDHGHVMPOFM-UHFFFAOYSA-N
MW453.51 g/mol
LogP6.10
Rot. Bonds4

About (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone

(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 67178862) has the molecular formula C26H26F3N3O and a molecular weight of 453.51 g/mol. Its IUPAC name is (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID67178862
Molecular FormulaC26H26F3N3O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name(2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2CCCC(Nc3ccc(C(F)(F)F)cn3)C2)c1C
InChIInChI=1S/C26H26F3N3O/c1-17-10-12-22(19-7-4-3-5-8-19)24(18(17)2)25(33)32-14-6-9-21(16-32)31-23-13-11-20(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,30,31)
InChIKeyNVMXDHGHVMPOFM-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 (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-methyl-6-(2-methylphenyl)phenyl]-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 67178860
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1-methylindole-3-carboxamide
CID 141248188
[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
N-[(3R)-1-(2,3-dimethyl-6-phenylbenzoyl)piperidin-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 141248187
[(3S)-3-anilinopiperidin-1-yl]-(2-methyl-4-phenyl-3-pyridinyl)methanone
CID 95717428
methyl 4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133273523
(2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129026084
(2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123868521
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 141418153
(5-fluoro-2-pyrimidin-2-ylphenyl)-[3-[[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
CID 134503225

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone (CID 67178862) is (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is Cc1ccc(-c2ccccc2)c(C(=O)N2CCCC(Nc3ccc(C(F)(F)F)cn3)C2)c1C.
What is the InChIKey of (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is NVMXDHGHVMPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O/c1-17-10-12-22(19-7-4-3-5-8-19)24(18(17)2)25(33)32-14-6-9-21(16-32)31-23-13-11-20(15-30-23)26(27,28)29/h3-5,7-8,10-13,15,21H,6,9,14,16H2,1-2H3,(H,30,31).
What are the key properties of (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone?
(2,3-dimethyl-6-phenylphenyl)-[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 (2,3-dimethyl-6-phenylphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 67178862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).