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

C15H15F3N4O3 — CID 167314568

IUPACtriazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1)n1ccnn1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)25-13-3-1-11(2-4-13)24-12-5-8-21(9-6-12)14(23)22-10-7-19-20-22/h1-4,7,10,12H,5-6,8-9H2
InChIKeyACYDLXNHRTZKMZ-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.69
Rot. Bonds3

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

triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 167314568) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Nametriazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID167314568
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Nametriazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESO=C(N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1)n1ccnn1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)25-13-3-1-11(2-4-13)24-12-5-8-21(9-6-12)14(23)22-10-7-19-20-22/h1-4,7,10,12H,5-6,8-9H2
InChIKeyACYDLXNHRTZKMZ-UHFFFAOYSA-N
XLogP2.69
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
[(2S)-1-oxo-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]carbamic acid
CID 67529467
N-[(Z)-2-(methylideneamino)ethenyl]-4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carbohydrazide
CID 162609210
ethyl 4-methylsulfonyloxypiperidine-1-carboxylate;ethyl 4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carboxylate
CID 87554936
[4-(trifluoromethoxy)phenyl]-[(3R)-3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 100738209
4-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]pyridine
CID 18357038
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
CID 70873529
N-hydroxy-1-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]sulfonylcyclohexane-1-carboxamide
CID 142009576
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405

Frequently Asked Questions

What is the IUPAC name of triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 167314568) is triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is O=C(N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1)n1ccnn1.
What is the InChIKey of triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is ACYDLXNHRTZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)25-13-3-1-11(2-4-13)24-12-5-8-21(9-6-12)14(23)22-10-7-19-20-22/h1-4,7,10,12H,5-6,8-9H2.
What are the key properties of triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 356.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triazol-1-yl-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 167314568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).