(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone

C21H18F3N5O2 — CID 134503210

IUPAC(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ncccn1)N1CCCC(Oc2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)17-11-28-18(12-27-17)31-14-5-3-10-29(13-14)20(30)16-7-2-1-6-15(16)19-25-8-4-9-26-19/h1-2,4,6-9,11-12,14H,3,5,10,13H2
InChIKeyIJVDXYCDGCQHLV-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.64
Rot. Bonds4

About (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone

(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 134503210) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID134503210
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESO=C(c1ccccc1-c1ncccn1)N1CCCC(Oc2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)17-11-28-18(12-27-17)31-14-5-3-10-29(13-14)20(30)16-7-2-1-6-15(16)19-25-8-4-9-26-19/h1-2,4,6-9,11-12,14H,3,5,10,13H2
InChIKeyIJVDXYCDGCQHLV-UHFFFAOYSA-N
XLogP3.64
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone
CID 126746578
[3-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134503259
[3-[(5-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 134503118
[3-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 134503380
[2-(triazol-2-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 134503624
(2-methylsulfanylphenyl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
CID 122267521
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 134503463

Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone (CID 134503210) is (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone is O=C(c1ccccc1-c1ncccn1)N1CCCC(Oc2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is IJVDXYCDGCQHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c22-21(23,24)17-11-28-18(12-27-17)31-14-5-3-10-29(13-14)20(30)16-7-2-1-6-15(16)19-25-8-4-9-26-19/h1-2,4,6-9,11-12,14H,3,5,10,13H2.
What are the key properties of (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
(2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 429.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrimidin-2-ylphenyl)-[3-[5-(trifluoromethyl)pyrazin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 134503210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).