3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

C17H20FN3O2 — CID 23061041

IUPAC3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COc3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-13(7-10-21)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyBTDGVDZOMQLDTP-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.21
Rot. Bonds4

About 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 23061041) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID23061041
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COc3ccc(F)cc3)CC2)c1=O
InChIInChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-13(7-10-21)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3
InChIKeyBTDGVDZOMQLDTP-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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
5-Chloro-1-methyl-3-[4-(2-methylphenoxy)piperidin-1-yl]pyrazin-2-one
CID 53493785
3-[4-(2-Phenoxyethyl)piperazin-1-yl]-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 10390138
3-[4-(2-Phenylethyl)piperazin-1-yl]-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 9890356
3-(4-Benzylpiperazin-1-yl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 10435303
3-(4-Methyl-4-oxidopiperazin-4-ium-1-yl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 172433233
3-(4-Hexylpiperazin-1-yl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 172434362
1-[2-(2,4,5-Trifluorophenoxy)ethyl]-3-(4-isopropyl-1-piperazinyl)-2(1H)-pyrazinone
CID 9978038
3-[4-(2-Methoxyethyl)piperazin-1-yl]-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 9979043
1-[2-(4-Fluorophenoxy)ethyl]-3-piperazin-1-ylpyrazin-2-one
CID 9996000
3-[(2R)-2-methylpiperazin-1-yl]-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 9999085

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 23061041) is 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(COc3ccc(F)cc3)CC2)c1=O.
What is the InChIKey of 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is BTDGVDZOMQLDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-11-8-19-16(17(20)22)21-9-6-13(7-10-21)12-23-15-4-2-14(18)3-5-15/h2-5,8,11,13H,6-7,9-10,12H2,1H3.
What are the key properties of 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 317.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 23061041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).