3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

C17H19F2N3O2 — CID 23061037

IUPAC3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COc3cc(F)ccc3F)CC2)c1=O
InChIInChI=1S/C17H19F2N3O2/c1-21-9-6-20-16(17(21)23)22-7-4-12(5-8-22)11-24-15-10-13(18)2-3-14(15)19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyVUSUHAOKJODSEY-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.35
Rot. Bonds4

About 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 23061037) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID23061037
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(COc3cc(F)ccc3F)CC2)c1=O
InChIInChI=1S/C17H19F2N3O2/c1-21-9-6-20-16(17(21)23)22-7-4-12(5-8-22)11-24-15-10-13(18)2-3-14(15)19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3
InChIKeyVUSUHAOKJODSEY-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.35
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
2(1H)-Pyrazinone, 3-(1-piperazinyl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]-
CID 10405848
3-(4-Benzylpiperazin-1-yl)-1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
CID 10435303
3-(1-Piperazinyl)-1-[2-(2,3,4-trifluorophenoxy)ethyl]-2(1H)-pyrazinone
CID 10473299
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 23061037) is 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(COc3cc(F)ccc3F)CC2)c1=O.
What is the InChIKey of 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is VUSUHAOKJODSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-21-9-6-20-16(17(21)23)22-7-4-12(5-8-22)11-24-15-10-13(18)2-3-14(15)19/h2-3,6,9-10,12H,4-5,7-8,11H2,1H3.
What are the key properties of 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 335.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-difluorophenoxy)methyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 23061037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).