4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one

C19H19FN2O4 — CID 96576520

IUPAC4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C19H19FN2O4/c1-26-16-5-3-2-4-15(16)22-11-10-21(12-17(22)23)19(25)18(24)13-6-8-14(20)9-7-13/h2-9,18,24H,10-12H2,1H3/t18-/m1/s1
InChIKeyMLLGJPHVNVEPGB-GOSISDBHSA-N
MW358.37 g/mol
LogP1.74
Rot. Bonds4

About 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one

4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 96576520) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID96576520
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1=O
InChIInChI=1S/C19H19FN2O4/c1-26-16-5-3-2-4-15(16)22-11-10-21(12-17(22)23)19(25)18(24)13-6-8-14(20)9-7-13/h2-9,18,24H,10-12H2,1H3/t18-/m1/s1
InChIKeyMLLGJPHVNVEPGB-GOSISDBHSA-N
XLogP1.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
CID 96572015
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70748158
4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
CID 97119292
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538787
4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70781583
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
2-(4-fluorophenyl)-2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 134506544

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one (CID 96576520) is 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(F)cc2)CC1=O.
What is the InChIKey of 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is MLLGJPHVNVEPGB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-26-16-5-3-2-4-15(16)22-11-10-21(12-17(22)23)19(25)18(24)13-6-8-14(20)9-7-13/h2-9,18,24H,10-12H2,1H3/t18-/m1/s1.
What are the key properties of 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one?
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 358.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 96576520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).