2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

C21H27N3O2 — CID 6470922

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)17-21(25)22-12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyFQPQTKZMCWHMPT-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.18
Rot. Bonds7

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 6470922) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID6470922
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)17-21(25)22-12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyFQPQTKZMCWHMPT-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266407
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 8587824
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025749
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 6470922) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(N2CCN(CC(=O)NCCc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is FQPQTKZMCWHMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-9-7-19(8-10-20)24-15-13-23(14-16-24)17-21(25)22-12-11-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6470922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).