4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one

C14H17FN2O2 — CID 110708971

IUPAC4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2cccc(F)c2)CC1=O
InChIInChI=1S/C14H17FN2O2/c1-10(2)17-7-6-16(9-13(17)18)14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeySWPWCDJKTJHGCA-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.52
Rot. Bonds2

About 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one

4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 110708971) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
PubChem CID110708971
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2cccc(F)c2)CC1=O
InChIInChI=1S/C14H17FN2O2/c1-10(2)17-7-6-16(9-13(17)18)14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeySWPWCDJKTJHGCA-UHFFFAOYSA-N
XLogP1.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346182
1-propan-2-yl-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110741317
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
(8aR)-7-(3-fluorobenzoyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 163147061
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one (CID 110708971) is 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)c2cccc(F)c2)CC1=O.
What is the InChIKey of 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is SWPWCDJKTJHGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(2)17-7-6-16(9-13(17)18)14(19)11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one?
4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 264.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110708971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).