3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide

C21H26FN3O2 — CID 109027353

IUPAC3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyLJLVKWDZHBNFMJ-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.29
Rot. Bonds6

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

3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 109027353) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID109027353
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyLJLVKWDZHBNFMJ-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033774
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(2-methoxy-5-methylphenyl)-3-piperazin-1-ylpropanamide
CID 28807979
N-(2,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033747
N-(5-acetamido-2-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3703737
N-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027329
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109031290
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 109030197
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 2903032

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 109027353) is 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is LJLVKWDZHBNFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-16-3-8-20(27-2)19(15-16)23-21(26)9-10-24-11-13-25(14-12-24)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide?
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 109027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).