1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one

C17H23FN2O2 — CID 673155

IUPAC1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-5-17(22)20-10-8-19(9-11-20)15-7-6-13(12-14(15)18)16(21)4-2/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyXMEFAISISDMCDN-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.87
Rot. Bonds5

About 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one

1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one (PubChem CID 673155) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one
PubChem CID673155
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-5-17(22)20-10-8-19(9-11-20)15-7-6-13(12-14(15)18)16(21)4-2/h6-7,12H,3-5,8-11H2,1-2H3
InChIKeyXMEFAISISDMCDN-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-difluorophenyl)piperazin-1-yl]butan-1-one
CID 113079847
1-[3-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]propan-1-one
CID 609748
4-(4-butanoylpiperazin-1-yl)-3-fluorobenzonitrile
CID 6486813
1-[4-[4-(2-chloro-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]propan-1-one
CID 1282871
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
1-[4-[4-(4,4-difluorocyclohexanecarbonyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one
CID 155658944
1-[3-fluoro-4-[4-[2-(4-methylpiperazin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]phenyl]propan-1-one
CID 2885266
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione
CID 26959832
1-[4-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366424
1-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]pentan-1-one
CID 2948360
methyl 3-(4-butanoylpiperazin-1-yl)-4-chlorobenzoate
CID 113078614
1-[4-(4-acetyl-2-fluorophenyl)-2-methylpiperazin-1-yl]butan-1-one
CID 6486925

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one (CID 673155) is 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1.
What is the InChIKey of 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is XMEFAISISDMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-5-17(22)20-10-8-19(9-11-20)15-7-6-13(12-14(15)18)16(21)4-2/h6-7,12H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one?
1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 306.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoro-4-propanoylphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).