3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C18H22FN3O — CID 22247931

IUPAC3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O/c19-16-4-2-1-3-15(16)6-5-14-7-11-22(12-8-14)13-17-18(23)21-10-9-20-17/h1-4,9-10,14H,5-8,11-13H2,(H,21,23)
InChIKeyOKYICOAAAUYXLR-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.75
Rot. Bonds5

About 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22247931) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22247931
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1CN1CCC(CCc2ccccc2F)CC1
InChIInChI=1S/C18H22FN3O/c19-16-4-2-1-3-15(16)6-5-14-7-11-22(12-8-14)13-17-18(23)21-10-9-20-17/h1-4,9-10,14H,5-8,11-13H2,(H,21,23)
InChIKeyOKYICOAAAUYXLR-UHFFFAOYSA-N
XLogP2.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22247931) is 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=c1[nH]ccnc1CN1CCC(CCc2ccccc2F)CC1.
What is the InChIKey of 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is OKYICOAAAUYXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c19-16-4-2-1-3-15(16)6-5-14-7-11-22(12-8-14)13-17-18(23)21-10-9-20-17/h1-4,9-10,14H,5-8,11-13H2,(H,21,23).
What are the key properties of 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 315.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22247931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).