3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one

C17H18F3N3O3 — CID 126795574

IUPAC3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1=O
InChIInChI=1S/C17H18F3N3O3/c1-22-10-7-21-14(15(22)24)23-8-5-16(25,6-9-23)12-3-2-4-13(11-12)26-17(18,19)20/h2-4,7,10-11,25H,5-6,8-9H2,1H3
InChIKeyFYVZPZCLLHCENV-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.17
Rot. Bonds3

About 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 126795574) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID126795574
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1=O
InChIInChI=1S/C17H18F3N3O3/c1-22-10-7-21-14(15(22)24)23-8-5-16(25,6-9-23)12-3-2-4-13(11-12)26-17(18,19)20/h2-4,7,10-11,25H,5-6,8-9H2,1H3
InChIKeyFYVZPZCLLHCENV-UHFFFAOYSA-N
XLogP2.17
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 126795574) is 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)c1=O.
What is the InChIKey of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is FYVZPZCLLHCENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-22-10-7-21-14(15(22)24)23-8-5-16(25,6-9-23)12-3-2-4-13(11-12)26-17(18,19)20/h2-4,7,10-11,25H,5-6,8-9H2,1H3.
What are the key properties of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 369.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 126795574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).