2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone

C26H30FN3O2 — CID 22248305

IUPAC2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H30FN3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27/h4-11,18H,12-17H2,1-3H3
InChIKeyOGDPXSOWQIHXBN-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.97
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone

2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone (PubChem CID 22248305) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone
PubChem CID22248305
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C26H30FN3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27/h4-11,18H,12-17H2,1-3H3
InChIKeyOGDPXSOWQIHXBN-UHFFFAOYSA-N
XLogP4.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone (CID 22248305) is 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone is CC(C)(C)Oc1nc2ccccc2nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone?
The InChIKey is OGDPXSOWQIHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-26(2,3)32-25-23(28-21-10-6-7-11-22(21)29-25)17-30-14-12-18(13-15-30)24(31)16-19-8-4-5-9-20(19)27/h4-11,18H,12-17H2,1-3H3.
What are the key properties of 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone?
2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone has a molecular weight of 435.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]quinoxalin-2-yl]methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 22248305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).