4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one

C12H13FN2O3 — CID 104917774

IUPAC4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2c(O)cccc2F)CC1=O
InChIInChI=1S/C12H13FN2O3/c1-14-5-6-15(7-10(14)17)12(18)11-8(13)3-2-4-9(11)16/h2-4,16H,5-7H2,1H3
InChIKeyMWLJUSOUNYCPQY-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.45
Rot. Bonds1

About 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one

4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one (PubChem CID 104917774) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
PubChem CID104917774
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2c(O)cccc2F)CC1=O
InChIInChI=1S/C12H13FN2O3/c1-14-5-6-15(7-10(14)17)12(18)11-8(13)3-2-4-9(11)16/h2-4,16H,5-7H2,1H3
InChIKeyMWLJUSOUNYCPQY-UHFFFAOYSA-N
XLogP0.45
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682560
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916616
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 107014819
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
(2-fluoro-6-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104917485
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one (CID 104917774) is 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2c(O)cccc2F)CC1=O.
What is the InChIKey of 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one?
The InChIKey is MWLJUSOUNYCPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-14-5-6-15(7-10(14)17)12(18)11-8(13)3-2-4-9(11)16/h2-4,16H,5-7H2,1H3.
What are the key properties of 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one?
4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one has a molecular weight of 252.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 104917774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).