(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C16H15F3N4O2 — CID 121162068

IUPAC(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)13-2-1-11(9-21-13)15(24)23-7-4-12(5-8-23)25-14-3-6-20-10-22-14/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeySFNPEOYXTULUBY-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.57
Rot. Bonds3

About (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 121162068) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID121162068
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)13-2-1-11(9-21-13)15(24)23-7-4-12(5-8-23)25-14-3-6-20-10-22-14/h1-3,6,9-10,12H,4-5,7-8H2
InChIKeySFNPEOYXTULUBY-UHFFFAOYSA-N
XLogP2.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
(5-methyl-2-(pyrimidin-2-yl)pyridin-3-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117629953
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)nicotinamide
CID 121416837
2-(2,2-difluoroethoxy)-N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethylnicotinamide
CID 121427020
US11072585, Example 39
CID 122536455
N-[2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71452907
US11377438, Example 2
CID 146526012
{3-[6-(4-Ethoxy-pyridin-2-ylamino)-2-methyl-pyrimidin-4-yl]-piperidin-1-yl}-phenyl-methanone
CID 86342068
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-2-ethoxy-N-ethylnicotinamide
CID 121416827
N-(2-((4,6-dimethylpyrimidin-2-yl)(methyl)amino)ethyl)-N-ethyl-2-isopropoxynicotinamide
CID 121416941
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 53579352
[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 53586150

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 121162068) is (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is SFNPEOYXTULUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)13-2-1-11(9-21-13)15(24)23-7-4-12(5-8-23)25-14-3-6-20-10-22-14/h1-3,6,9-10,12H,4-5,7-8H2.
What are the key properties of (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?
(4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 352.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-4-yloxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 121162068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).