2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone

C20H24FN3O2 — CID 22248157

IUPAC2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone
SMILESCOc1ncc(C)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-14-12-22-20(26-2)18(23-14)13-24-9-7-15(8-10-24)19(25)11-16-5-3-4-6-17(16)21/h3-6,12,15H,7-11,13H2,1-2H3
InChIKeyAGNFBCLHCHGHRO-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.96
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone

2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 22248157) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone
PubChem CID22248157
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone
SMILESCOc1ncc(C)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-14-12-22-20(26-2)18(23-14)13-24-9-7-15(8-10-24)19(25)11-16-5-3-4-6-17(16)21/h3-6,12,15H,7-11,13H2,1-2H3
InChIKeyAGNFBCLHCHGHRO-UHFFFAOYSA-N
XLogP2.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.96
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-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone (CID 22248157) is 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone is COc1ncc(C)nc1CN1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The InChIKey is AGNFBCLHCHGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-12-22-20(26-2)18(23-14)13-24-9-7-15(8-10-24)19(25)11-16-5-3-4-6-17(16)21/h3-6,12,15H,7-11,13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
2-(2-fluorophenyl)-1-[1-[(3-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone has a molecular weight of 357.43 g/mol, XLogP of 2.96, 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-methoxy-6-methylpyrazin-2-yl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 22248157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).