1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one

C15H15FN4O — CID 165435048

IUPAC1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one
SMILESO=C1CN(c2cnccn2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c16-13-3-1-12(2-4-13)10-20-8-7-19(11-15(20)21)14-9-17-5-6-18-14/h1-6,9H,7-8,10-11H2
InChIKeyDYMDSAIEEJEGFI-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.46
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one

1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one (PubChem CID 165435048) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one
PubChem CID165435048
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one
SMILESO=C1CN(c2cnccn2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c16-13-3-1-12(2-4-13)10-20-8-7-19(11-15(20)21)14-9-17-5-6-18-14/h1-6,9H,7-8,10-11H2
InChIKeyDYMDSAIEEJEGFI-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-one
CID 165435255
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
4-ethyl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 166827609
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
CID 133484157
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
CID 72938937
1-[(3,5-difluorophenyl)methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733239
7-[(4-fluorophenyl)methyl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 10014748
2-pyrazin-2-yl-5-(pyridin-4-ylmethyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131648056
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 72898790
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
1-[(4-methoxyphenyl)methyl]-4-(6-methoxypyrimidin-4-yl)piperazin-2-one
CID 39834353

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one (CID 165435048) is 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one is O=C1CN(c2cnccn2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one?
The InChIKey is DYMDSAIEEJEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-3-1-12(2-4-13)10-20-8-7-19(11-15(20)21)14-9-17-5-6-18-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one?
1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one has a molecular weight of 286.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-pyrazin-2-ylpiperazin-2-one is sourced from PubChem (CID 165435048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).