N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C21H26FN3O — CID 109027327

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

About N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 109027327) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID109027327
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C21H26FN3O/c1-16-3-8-20(17(2)15-16)23-21(26)9-10-24-11-13-25(14-12-24)19-6-4-18(22)5-7-19/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyAKYVIGQOVIVAHM-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

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109027353
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949502
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109035128
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
N-(4-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 109027177
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
4-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxobutanamide
CID 18158983

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 109027327) is N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is Cc1ccc(NC(=O)CCN2CCN(c3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is AKYVIGQOVIVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-3-8-20(17(2)15-16)23-21(26)9-10-24-11-13-25(14-12-24)19-6-4-18(22)5-7-19/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(2,4-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-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 109027327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).