4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one

C15H19FN2O2 — CID 110708991

IUPAC4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H19FN2O2/c1-11(2)18-8-7-17(10-15(18)20)14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyQNMKHGDWMQPBSS-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.45
Rot. Bonds3

About 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one

4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one (PubChem CID 110708991) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
PubChem CID110708991
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1=O
InChIInChI=1S/C15H19FN2O2/c1-11(2)18-8-7-17(10-15(18)20)14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeyQNMKHGDWMQPBSS-UHFFFAOYSA-N
XLogP1.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
4-[3-(2-methylphenyl)propanoyl]-1-propan-2-ylpiperazin-2-one
CID 110709033
2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110872772
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721
2-(4-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95337967
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one (CID 110708991) is 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1=O.
What is the InChIKey of 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one?
The InChIKey is QNMKHGDWMQPBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11(2)18-8-7-17(10-15(18)20)14(19)9-12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one?
4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 278.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)acetyl]-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).