3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one

C18H22FN3O2 — CID 23061156

IUPAC3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COCc3ccccc3F)CC2)c1=O
InChIInChI=1S/C18H22FN3O2/c1-21-11-8-20-17(18(21)23)22-9-6-14(7-10-22)12-24-13-15-4-2-3-5-16(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyYHKSDVNXCWNOJB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.35
Rot. Bonds5

About 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 23061156) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID23061156
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COCc3ccccc3F)CC2)c1=O
InChIInChI=1S/C18H22FN3O2/c1-21-11-8-20-17(18(21)23)22-9-6-14(7-10-22)12-24-13-15-4-2-3-5-16(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3
InChIKeyYHKSDVNXCWNOJB-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(2,5-Difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061037
3-[4-[(4-Fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061041
3-[4-[(2,6-Difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061109
3-[4-[(2,4-Difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061147
3-[4-[(2-Fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061234
3-[4-[(3-Fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061259
3-[4-[(2-Fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061411
1-Methyl-3-[4-[[2-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]pyrazin-2-one
CID 69355234
3-[4-[1-(2-Fluorophenoxy)ethyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 153834358
3-[4-[2-(2-Fluorophenyl)-1-methoxyethyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 153834364
5-Fluoro-3-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 153834436
1-methyl-3-[(2R)-2-[2-(trifluoromethyl)phenyl]morpholin-4-yl]pyrazin-2-one
CID 99820216

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 23061156) is 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(COCc3ccccc3F)CC2)c1=O.
What is the InChIKey of 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is YHKSDVNXCWNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-21-11-8-20-17(18(21)23)22-9-6-14(7-10-22)12-24-13-15-4-2-3-5-16(15)19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3.
What are the key properties of 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 331.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 23061156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).