(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

C14H15F3N6O2 — CID 122267574

IUPAC(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C14H15F3N6O2/c1-22-8-10(20-21-22)12(24)23-6-2-3-9(7-23)25-13-18-5-4-11(19-13)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyHLKFBPQMJAMETA-UHFFFAOYSA-N
MW356.31 g/mol
LogP1.31
Rot. Bonds3

About (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone

(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 122267574) has the molecular formula C14H15F3N6O2 and a molecular weight of 356.31 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID122267574
Molecular FormulaC14H15F3N6O2
Molecular Weight356.31 g/mol
Exact Mass356.12
IUPAC Name(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C14H15F3N6O2/c1-22-8-10(20-21-22)12(24)23-6-2-3-9(7-23)25-13-18-5-4-11(19-13)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyHLKFBPQMJAMETA-UHFFFAOYSA-N
XLogP1.31
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone (CID 122267574) is (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is Cn1cc(C(=O)N2CCCC(Oc3nccc(C(F)(F)F)n3)C2)nn1.
What is the InChIKey of (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is HLKFBPQMJAMETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2/c1-22-8-10(20-21-22)12(24)23-6-2-3-9(7-23)25-13-18-5-4-11(19-13)14(15,16)17/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone?
(1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 356.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 122267574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).