(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

C17H18F3N3O3 — CID 67170375

IUPAC(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1
InChIInChI=1S/C17H18F3N3O3/c1-22-10-15(21-11-22)16(24)23-7-5-12(6-8-23)25-13-3-2-4-14(9-13)26-17(18,19)20/h2-4,9-12H,5-8H2,1H3
InChIKeyQJEORQFKARNDEZ-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.00
Rot. Bonds4

About (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 67170375) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID67170375
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1
InChIInChI=1S/C17H18F3N3O3/c1-22-10-15(21-11-22)16(24)23-7-5-12(6-8-23)25-13-3-2-4-14(9-13)26-17(18,19)20/h2-4,9-12H,5-8H2,1H3
InChIKeyQJEORQFKARNDEZ-UHFFFAOYSA-N
XLogP3.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 67170375) is (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC(Oc3cccc(OC(F)(F)F)c3)CC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is QJEORQFKARNDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-22-10-15(21-11-22)16(24)23-7-5-12(6-8-23)25-13-3-2-4-14(9-13)26-17(18,19)20/h2-4,9-12H,5-8H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 369.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 67170375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).