2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C26H24F3N3O3 — CID 153142078

IUPAC2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1ccc(CC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H24F3N3O3/c1-17-7-8-18(14-22(33)21-5-2-6-24(31-21)26(27,28)29)15-23(17)35-20-9-12-32(13-10-20)25(34)19-4-3-11-30-16-19/h2-8,11,15-16,20H,9-10,12-14H2,1H3
InChIKeyVYUWALPHGROZIK-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.91
Rot. Bonds6

About 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 153142078) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID153142078
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCc1ccc(CC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C26H24F3N3O3/c1-17-7-8-18(14-22(33)21-5-2-6-24(31-21)26(27,28)29)15-23(17)35-20-9-12-32(13-10-20)25(34)19-4-3-11-30-16-19/h2-8,11,15-16,20H,9-10,12-14H2,1H3
InChIKeyVYUWALPHGROZIK-UHFFFAOYSA-N
XLogP4.91
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
6-(2-fluoranylpyridin-4-yl)-~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 168276974
5-(4-Fluorophenyl)-7,8-dihydro-N-(2-methoxybenzyl)-N,7-dimethyl-8-oxo-6-pyrido[3,4-b]pyridinecarboxamide
CID 9980171
N,N-Diethyl-6-(spiro[chromene-2,4''-piperidine]-4-yl)nicotinamide
CID 44254061
3-[[2-Oxo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]amino]pyridine-2-carboxamide
CID 44425932
N-(1-((2-ethoxy-4''-fluorobiphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862888
N-(1-((2-ethoxy-4''-(trifluoromethyl)biphenyl-4-yl)methyl)piperidin-4-yl)-5-methylnicotinamide
CID 49862889
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)picolinamide
CID 66710344
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(2,4-difluorophenoxy) piperidine-1-carbonyl)nicotinamide
CID 66710857
2-[(4-{4-[(4-Methoxy-1-piperidinyl)carbonyl]phenoxy}-1-piperidinyl)methyl]pyridine
CID 16187445
1-[4-[3-[4-(Pyridine-2-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
CID 44304376
1-[4-[3-[4-(Pyridine-3-carbonyl)piperazin-1-yl]propoxy]phenyl]hexan-1-one
CID 44304378

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 153142078) is 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is Cc1ccc(CC(=O)c2cccc(C(F)(F)F)n2)cc1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is VYUWALPHGROZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-17-7-8-18(14-22(33)21-5-2-6-24(31-21)26(27,28)29)15-23(17)35-20-9-12-32(13-10-20)25(34)19-4-3-11-30-16-19/h2-8,11,15-16,20H,9-10,12-14H2,1H3.
What are the key properties of 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 483.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 153142078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).