4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide

C17H24FN3O2 — CID 29200089

IUPAC4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
SMILESCC(C)C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-13(2)17(23)21-11-9-20(10-12-21)8-7-19-16(22)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyIJFUYYOKOZTPQY-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.36
Rot. Bonds5

About 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide

4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 29200089) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
PubChem CID29200089
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
SMILESCC(C)C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-13(2)17(23)21-11-9-20(10-12-21)8-7-19-16(22)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,22)
InChIKeyIJFUYYOKOZTPQY-UHFFFAOYSA-N
XLogP1.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200300
4-fluoro-N-[2-[4-(2-phenylbutanoyl)piperazin-1-yl]ethyl]benzamide
CID 44962537
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-[2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200156
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51172066
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide (CID 29200089) is 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide is CC(C)C(=O)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is IJFUYYOKOZTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13(2)17(23)21-11-9-20(10-12-21)8-7-19-16(22)14-3-5-15(18)6-4-14/h3-6,13H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide?
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 321.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 29200089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).