[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C19H20F3N3O2 — CID 122257799

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-13(2)24-18(23-12)27-14-6-5-9-25(11-14)17(26)15-7-3-4-8-16(15)19(20,21)22/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyNJFYDWFLXCLAGI-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.80
Rot. Bonds3

About [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 122257799) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID122257799
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H20F3N3O2/c1-12-10-13(2)24-18(23-12)27-14-6-5-9-25(11-14)17(26)15-7-3-4-8-16(15)19(20,21)22/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyNJFYDWFLXCLAGI-UHFFFAOYSA-N
XLogP3.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 122257702
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 129355591
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122258090
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122257888
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122257905
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
cyclohexyl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257735
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 122257799) is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is NJFYDWFLXCLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-12-10-13(2)24-18(23-12)27-14-6-5-9-25(11-14)17(26)15-7-3-4-8-16(15)19(20,21)22/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 379.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 122257799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).