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

C17H20FN3O2 — CID 23061234

IUPAC3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCc3ccccc3F)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-14(7-10-21)23-12-13-4-2-3-5-15(13)18/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyKJDGEJVSANXEDT-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.11
Rot. Bonds4

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

3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 23061234) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID23061234
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(OCc3ccccc3F)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-14(7-10-21)23-12-13-4-2-3-5-15(13)18/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyKJDGEJVSANXEDT-UHFFFAOYSA-N
XLogP2.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Chloro-1-methyl-3-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrazin-2-one
CID 53493650
1-Methyl-3-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyrazin-2-one
CID 53493652
3-[4-[(2-Fluorophenyl)methoxymethyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 23061156
3-[4-[2-(2-Fluorophenyl)-1-methoxyethyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 153834364
6-Chloro-5-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one
CID 153834414
1-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 40222038
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 40222039
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884482
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884861
1-[2-[2-(4-Fluorophenyl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 45817562
2-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51514176
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51514177

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one (CID 23061234) is 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(OCc3ccccc3F)CC2)c1=O.
What is the InChIKey of 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is KJDGEJVSANXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-14(7-10-21)23-12-13-4-2-3-5-15(13)18/h2-5,8,11,14H,6-7,9-10,12H2,1H3.
What are the key properties of 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 317.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 23061234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).