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1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one

C21H23F3N4O2 — CID 126952577

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)cncc1=O
InChIInChI=1S/C21H23F3N4O2/c1-26-15(11-25-12-20(26)29)13-27-8-5-16(6-9-27)30-19-4-2-3-18-17(19)7-10-28(18)14-21(22,23)24/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3
InChIKeyGVGLFKPVZDXZDD-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.34
Rot. Bonds5

About 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one

1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one (PubChem CID 126952577) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
PubChem CID126952577
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one
SMILESCn1c(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)cncc1=O
InChIInChI=1S/C21H23F3N4O2/c1-26-15(11-25-12-20(26)29)13-27-8-5-16(6-9-27)30-19-4-2-3-18-17(19)7-10-28(18)14-21(22,23)24/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3
InChIKeyGVGLFKPVZDXZDD-UHFFFAOYSA-N
XLogP3.34
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one?
The IUPAC name of 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one (CID 126952577) is 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one.
What is the SMILES notation for 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one?
The canonical SMILES for 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one is Cn1c(CN2CCC(Oc3cccc4c3ccn4CC(F)(F)F)CC2)cncc1=O.
What is the InChIKey of 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one?
The InChIKey is GVGLFKPVZDXZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-26-15(11-25-12-20(26)29)13-27-8-5-16(6-9-27)30-19-4-2-3-18-17(19)7-10-28(18)14-21(22,23)24/h2-4,7,10-12,16H,5-6,8-9,13-14H2,1H3.
What are the key properties of 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one?
1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one has a molecular weight of 420.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[4-[1-(2,2,2-trifluoroethyl)indol-4-yl]oxypiperidin-1-yl]methyl]pyrazin-2-one is sourced from PubChem (CID 126952577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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