2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

C22H29N3O3 — CID 9259187

IUPAC2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-18-3-5-19(6-4-18)23-22(26)17-25-13-11-24(12-14-25)15-16-28-21-9-7-20(27-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyBHLQAAFLJCDTQS-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 9259187) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID9259187
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(OCCN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-18-3-5-19(6-4-18)23-22(26)17-25-13-11-24(12-14-25)15-16-28-21-9-7-20(27-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26)
InChIKeyBHLQAAFLJCDTQS-UHFFFAOYSA-N
XLogP2.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(3-fluorophenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8711189
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9113409
2-(azepan-1-yl)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54814562
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24534609
2-[4-(cyanomethyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 586701

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 9259187) is 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is COc1ccc(OCCN2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is BHLQAAFLJCDTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-18-3-5-19(6-4-18)23-22(26)17-25-13-11-24(12-14-25)15-16-28-21-9-7-20(27-2)8-10-21/h3-10H,11-17H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9259187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).