2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone

C22H27F2N3O2 — CID 22248265

IUPAC2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1
InChIInChI=1S/C22H27F2N3O2/c1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24/h4-6,9-10,15H,7-8,11-14H2,1-3H3
InChIKeyHYCBZUXNLVASSZ-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.96
Rot. Bonds6

About 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone

2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone (PubChem CID 22248265) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
PubChem CID22248265
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1
InChIInChI=1S/C22H27F2N3O2/c1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24/h4-6,9-10,15H,7-8,11-14H2,1-3H3
InChIKeyHYCBZUXNLVASSZ-UHFFFAOYSA-N
XLogP3.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone (CID 22248265) is 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone is CC(C)(C)Oc1nccnc1CN1CCC(C(=O)Cc2cccc(F)c2F)CC1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
The InChIKey is HYCBZUXNLVASSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-22(2,3)29-21-18(25-9-10-26-21)14-27-11-7-15(8-12-27)19(28)13-16-5-4-6-17(23)20(16)24/h4-6,9-10,15H,7-8,11-14H2,1-3H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone?
2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone has a molecular weight of 403.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 22248265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).