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

C17H17F3N4O2 — CID 121162644

IUPAC[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H17F3N4O2/c1-11-21-7-4-15(23-11)26-13-5-8-24(9-6-13)16(25)12-2-3-14(22-10-12)17(18,19)20/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyDFGZKCYJMDJTIC-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.88
Rot. Bonds3

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

[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 121162644) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID121162644
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1
InChIInChI=1S/C17H17F3N4O2/c1-11-21-7-4-15(23-11)26-13-5-8-24(9-6-13)16(25)12-2-3-14(22-10-12)17(18,19)20/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyDFGZKCYJMDJTIC-UHFFFAOYSA-N
XLogP2.88
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[6-[(4-Methoxy-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 118725469
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
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 152131384
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
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-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 121162644) is [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1nccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)n1.
What is the InChIKey of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DFGZKCYJMDJTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-11-21-7-4-15(23-11)26-13-5-8-24(9-6-13)16(25)12-2-3-14(22-10-12)17(18,19)20/h2-4,7,10,13H,5-6,8-9H2,1H3.
What are the key properties of [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 366.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 121162644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).