N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

C28H33FN4O2 — CID 55432275

IUPACN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H33FN4O2/c1-31(19-20-35-27-10-6-5-9-26(27)29)22-28(34)30-24-11-13-25(14-12-24)33-17-15-32(16-18-33)21-23-7-3-2-4-8-23/h2-14H,15-22H2,1H3,(H,30,34)
InChIKeyZTMSSJAYKHUZIV-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.10
Rot. Bonds10

About N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide

N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 55432275) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID55432275
Molecular FormulaC28H33FN4O2
Molecular Weight476.60 g/mol
Exact Mass476.26
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccccc1F)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C28H33FN4O2/c1-31(19-20-35-27-10-6-5-9-26(27)29)22-28(34)30-24-11-13-25(14-12-24)33-17-15-32(16-18-33)21-23-7-3-2-4-8-23/h2-14H,15-22H2,1H3,(H,30,34)
InChIKeyZTMSSJAYKHUZIV-UHFFFAOYSA-N
XLogP4.10
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253551
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8729751
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624494
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425538
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 26386856
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-chloro-6-fluorobenzamide
CID 37251039
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17319465
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide (CID 55432275) is N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is CN(CCOc1ccccc1F)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is ZTMSSJAYKHUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-31(19-20-35-27-10-6-5-9-26(27)29)22-28(34)30-24-11-13-25(14-12-24)33-17-15-32(16-18-33)21-23-7-3-2-4-8-23/h2-14H,15-22H2,1H3,(H,30,34).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide?
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 476.60 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 55432275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).