N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C21H26FN3O — CID 109027329

IUPACN-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H26FN3O/c1-16-3-6-19(15-17(16)2)23-21(26)9-10-24-11-13-25(14-12-24)20-7-4-18(22)5-8-20/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyXFJXDIQRWQJHGF-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.59
Rot. Bonds5

About N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 109027329) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID109027329
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H26FN3O/c1-16-3-6-19(15-17(16)2)23-21(26)9-10-24-11-13-25(14-12-24)20-7-4-18(22)5-8-20/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyXFJXDIQRWQJHGF-UHFFFAOYSA-N
XLogP3.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695542
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
methyl 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109027365
N-(3-bromo-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668945
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154670
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 109027329) is N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is Cc1ccc(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is XFJXDIQRWQJHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-3-6-19(15-17(16)2)23-21(26)9-10-24-11-13-25(14-12-24)20-7-4-18(22)5-8-20/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 355.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109027329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).