2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

C16H22F3N3O2 — CID 71926894

IUPAC2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-13(20-21-14)11-4-3-7-22(9-11)15(23)10-24-12-5-1-2-6-12/h8,11-12H,1-7,9-10H2,(H,20,21)
InChIKeyBNYSHYLWAYPDES-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.09
Rot. Bonds4

About 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone

2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 71926894) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
PubChem CID71926894
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COC1CCCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-13(20-21-14)11-4-3-7-22(9-11)15(23)10-24-12-5-1-2-6-12/h8,11-12H,1-7,9-10H2,(H,20,21)
InChIKeyBNYSHYLWAYPDES-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 71926905
2-hydroxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110269011
5-methyl-3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]oxolan-2-one
CID 71871685
(3S)-1-[2-(cyclopropylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96514126
2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71926896
1,4-dioxan-2-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926898
1-[2-(cyclopropylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927082
1-[2-(oxolan-2-ylmethoxy)ethyl]-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927086
cyclopentyl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121226
2-(cyclopropylmethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 72121234
cyclopent-3-en-1-yl-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 72121326
2-cyclopentyl-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 72121330

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (CID 71926894) is 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is O=C(COC1CCCC1)N1CCCC(c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is BNYSHYLWAYPDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)14-8-13(20-21-14)11-4-3-7-22(9-11)15(23)10-24-12-5-1-2-6-12/h8,11-12H,1-7,9-10H2,(H,20,21).
What are the key properties of 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone?
2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 345.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71926894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).