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

C18H18F3N3O2 — CID 121160983

IUPAC[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1cc(OC2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)nc(C)n1
InChIInChI=1S/C18H18F3N3O2/c1-10-9-15(23-11(2)22-10)26-12-5-7-24(8-6-12)18(25)13-3-4-14(19)17(21)16(13)20/h3-4,9,12H,5-8H2,1-2H3
InChIKeyUXNBHPPCUXVLOX-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.19
Rot. Bonds3

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

[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 121160983) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID121160983
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCc1cc(OC2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)nc(C)n1
InChIInChI=1S/C18H18F3N3O2/c1-10-9-15(23-11(2)22-10)26-12-5-7-24(8-6-12)18(25)13-3-4-14(19)17(21)16(13)20/h3-4,9,12H,5-8H2,1-2H3
InChIKeyUXNBHPPCUXVLOX-UHFFFAOYSA-N
XLogP3.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 121160936
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
CID 121160924
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 121160983) is [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone is Cc1cc(OC2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)nc(C)n1.
What is the InChIKey of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is UXNBHPPCUXVLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-10-9-15(23-11(2)22-10)26-12-5-7-24(8-6-12)18(25)13-3-4-14(19)17(21)16(13)20/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 365.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 121160983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).