(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

C15H20F3N3O2 — CID 75499249

IUPAC(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC1CCOC1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N3O2/c1-10-5-9-23-13(10)14(22)20-6-2-11(3-7-20)21-8-4-12(19-21)15(16,17)18/h4,8,10-11,13H,2-3,5-7,9H2,1H3
InChIKeyFKTFOELZDMXBGA-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.49
Rot. Bonds2

About (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone

(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 75499249) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
PubChem CID75499249
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
SMILESCC1CCOC1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H20F3N3O2/c1-10-5-9-23-13(10)14(22)20-6-2-11(3-7-20)21-8-4-12(19-21)15(16,17)18/h4,8,10-11,13H,2-3,5-7,9H2,1H3
InChIKeyFKTFOELZDMXBGA-UHFFFAOYSA-N
XLogP2.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 75499249) is (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is CC1CCOC1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is FKTFOELZDMXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-5-9-23-13(10)14(22)20-6-2-11(3-7-20)21-8-4-12(19-21)15(16,17)18/h4,8,10-11,13H,2-3,5-7,9H2,1H3.
What are the key properties of (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone?
(3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 331.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 75499249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).