[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C17H17F3N4O3 — CID 121161493

IUPAC[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H17F3N4O3/c1-26-16-21-7-4-14(23-16)27-12-5-8-24(9-6-12)15(25)11-2-3-13(22-10-11)17(18,19)20/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyWMWAOYUMUKTOJP-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.58
Rot. Bonds4

About [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 121161493) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID121161493
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCOc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H17F3N4O3/c1-26-16-21-7-4-14(23-16)27-12-5-8-24(9-6-12)15(25)11-2-3-13(22-10-11)17(18,19)20/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyWMWAOYUMUKTOJP-UHFFFAOYSA-N
XLogP2.58
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-[(4-Methoxy-2-pyridinyl)amino]-1-piperidinyl]carbonyl]-2-pyridinecarbonitrile
CID 56659435
N-[2,2-difluoro-2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71460109
[2-(6-chloro-3-pyridinyl)-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(6-methyl-3-pyridinyl)methanone
CID 49821910
(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)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71449295
N-[2-[3-(2-methoxypyrimidin-5-yl)-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
CID 71452907
N-propyl-4-[[4-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 86766624
US11377438, Example 2
CID 146526012
{3-[6-(4-Ethoxy-pyridin-2-ylamino)-2-methyl-pyrimidin-4-yl]-piperidin-1-yl}-phenyl-methanone
CID 86342068

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 121161493) is [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is COc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1.
What is the InChIKey of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is WMWAOYUMUKTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-26-16-21-7-4-14(23-16)27-12-5-8-24(9-6-12)15(25)11-2-3-13(22-10-11)17(18,19)20/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 382.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 121161493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).