4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one

C13H15FN2O2 — CID 110708115

IUPAC4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)Cc2cccc(F)c2)CC1=O
InChIInChI=1S/C13H15FN2O2/c1-15-5-6-16(9-13(15)18)12(17)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyRVQGGQGVMKXASS-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.67
Rot. Bonds2

About 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one

4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one (PubChem CID 110708115) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
PubChem CID110708115
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)Cc2cccc(F)c2)CC1=O
InChIInChI=1S/C13H15FN2O2/c1-15-5-6-16(9-13(15)18)12(17)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3
InChIKeyRVQGGQGVMKXASS-UHFFFAOYSA-N
XLogP0.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110804316
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
1-[4-(2,6-difluorophenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113081269
1-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113073822
2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 95587276
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one (CID 110708115) is 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one is CN1CCN(C(=O)Cc2cccc(F)c2)CC1=O.
What is the InChIKey of 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one?
The InChIKey is RVQGGQGVMKXASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-15-5-6-16(9-13(15)18)12(17)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8-9H2,1H3.
What are the key properties of 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one?
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one has a molecular weight of 250.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 110708115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).