3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

C18H19F2N3O2 — CID 22248546

IUPAC3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=C(Cc1cccc(F)c1F)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C18H19F2N3O2/c19-14-3-1-2-13(17(14)20)10-16(24)12-4-8-23(9-5-12)11-15-18(25)22-7-6-21-15/h1-3,6-7,12H,4-5,8-11H2,(H,22,25)
InChIKeyZJVTYFAPMVUFHU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.07
Rot. Bonds5

About 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one

3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (PubChem CID 22248546) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
PubChem CID22248546
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
SMILESO=C(Cc1cccc(F)c1F)C1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C18H19F2N3O2/c19-14-3-1-2-13(17(14)20)10-16(24)12-4-8-23(9-5-12)11-15-18(25)22-7-6-21-15/h1-3,6-7,12H,4-5,8-11H2,(H,22,25)
InChIKeyZJVTYFAPMVUFHU-UHFFFAOYSA-N
XLogP2.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248430
2-(2,3-difluorophenyl)-1-[1-[[3-[(2-methylpropan-2-yl)oxy]pyrazin-2-yl]methyl]piperidin-4-yl]ethanone
CID 22248265
3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247962
3-[[4-[2-(2-fluorophenyl)-1-nitrosoethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 90806834
3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
CID 22248542
3-[[4-[2-(3-fluorothiophen-2-yl)ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 67047297
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
1-[1-[(6-fluoro-3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 22248325
oxalic acid;3-[1-[4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidin-1-yl]ethyl]-1H-pyrazin-2-one
CID 22248035
methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
CID 22248539
acetylene;3-[[4-[(3Z,5Z)-octa-1,3,5-trien-2-yl]azepan-1-yl]methyl]-1H-pyrazin-2-one
CID 142816460
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one (CID 22248546) is 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is O=C(Cc1cccc(F)c1F)C1CCN(Cc2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
The InChIKey is ZJVTYFAPMVUFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-14-3-1-2-13(17(14)20)10-16(24)12-4-8-23(9-5-12)11-15-18(25)22-7-6-21-15/h1-3,6-7,12H,4-5,8-11H2,(H,22,25).
What are the key properties of 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one?
3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one has a molecular weight of 347.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 22248546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).