2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone

C20H24FN3O2 — CID 22248424

IUPAC2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone
SMILESCOc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyDYACJKLYGQQQSM-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.21
Rot. Bonds6

About 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone

2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone (PubChem CID 22248424) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone
PubChem CID22248424
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone
SMILESCOc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O2/c1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3
InChIKeyDYACJKLYGQQQSM-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone (CID 22248424) is 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone is COc1nccnc1C(C)N1CCC(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone?
The InChIKey is DYACJKLYGQQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(19-20(26-2)23-10-9-22-19)24-11-7-15(8-12-24)18(25)13-16-5-3-4-6-17(16)21/h3-6,9-10,14-15H,7-8,11-13H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone?
2-(2-fluorophenyl)-1-[1-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone has a molecular weight of 357.43 g/mol, XLogP of 3.21, 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-[1-(3-methoxypyrazin-2-yl)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 22248424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).