N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

C21H26FN3O — CID 1149653

IUPACN-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H26FN3O/c1-16-7-8-17(2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)20-6-4-3-5-18(20)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeySLNVDRKJARZLII-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.59
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide

N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 1149653) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID1149653
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H26FN3O/c1-16-7-8-17(2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)20-6-4-3-5-18(20)22/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeySLNVDRKJARZLII-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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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide (CID 1149653) is N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is Cc1ccc(C)c(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is SLNVDRKJARZLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-7-8-17(2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)20-6-4-3-5-18(20)22/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-3-[4-(2-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-(2,5-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1149653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).