[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C23H23F4N5O2 — CID 123505316

IUPAC[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C)C2COc2ccc(C(F)(F)F)cn2)c(-n2nccn2)c1F
InChIInChI=1S/C23H23F4N5O2/c1-14-4-3-11-31(18(14)13-34-19-8-6-16(12-28-19)23(25,26)27)22(33)17-7-5-15(2)20(24)21(17)32-29-9-10-30-32/h5-10,12,14,18H,3-4,11,13H2,1-2H3
InChIKeyMFGKYTRPWJAUPY-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.45
Rot. Bonds5

About [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone

[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 123505316) has the molecular formula C23H23F4N5O2 and a molecular weight of 477.46 g/mol. Its IUPAC name is [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID123505316
Molecular FormulaC23H23F4N5O2
Molecular Weight477.46 g/mol
Exact Mass477.18
IUPAC Name[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C)C2COc2ccc(C(F)(F)F)cn2)c(-n2nccn2)c1F
InChIInChI=1S/C23H23F4N5O2/c1-14-4-3-11-31(18(14)13-34-19-8-6-16(12-28-19)23(25,26)27)22(33)17-7-5-15(2)20(24)21(17)32-29-9-10-30-32/h5-10,12,14,18H,3-4,11,13H2,1-2H3
InChIKeyMFGKYTRPWJAUPY-UHFFFAOYSA-N
XLogP4.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 134267096
[2,3-difluoro-6-(triazol-2-yl)phenyl]-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 118320271
(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 118320050
(5-fluoro-4-methyl-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 123536705
(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 118320187
[3,4-difluoro-2-(triazol-2-yl)phenyl]-[(2S)-3-methylidene-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 146762119
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025653
[3-fluoro-5-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025616
[3,5-difluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025772
[3-chloro-2-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
CID 147184623
[(2S,3R)-2-fluoro-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
CID 134503540
[5-methyl-2-(triazol-2-yl)phenyl]-[(2R,3S)-3-methyl-2-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]piperidin-1-yl]methanone
CID 147393039

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 123505316) is [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC(C)C2COc2ccc(C(F)(F)F)cn2)c(-n2nccn2)c1F.
What is the InChIKey of [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is MFGKYTRPWJAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N5O2/c1-14-4-3-11-31(18(14)13-34-19-8-6-16(12-28-19)23(25,26)27)22(33)17-7-5-15(2)20(24)21(17)32-29-9-10-30-32/h5-10,12,14,18H,3-4,11,13H2,1-2H3.
What are the key properties of [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
[3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 477.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-methyl-2-(triazol-2-yl)phenyl]-[3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 123505316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).