pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C16H15F3N4O2 — CID 71798754

IUPACpyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-1-2-14(22-9-11)25-12-3-7-23(8-4-12)15(24)13-10-20-5-6-21-13/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyMSAPZEMOLLNGJK-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.57
Rot. Bonds3

About pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798754) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798754
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Namepyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-1-2-14(22-9-11)25-12-3-7-23(8-4-12)15(24)13-10-20-5-6-21-13/h1-2,5-6,9-10,12H,3-4,7-8H2
InChIKeyMSAPZEMOLLNGJK-UHFFFAOYSA-N
XLogP2.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798754) is pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is O=C(c1cnccn1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is MSAPZEMOLLNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)11-1-2-14(22-9-11)25-12-3-7-23(8-4-12)15(24)13-10-20-5-6-21-13/h1-2,5-6,9-10,12H,3-4,7-8H2.
What are the key properties of pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 352.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).