N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

C21H28ClN3O3 — CID 120754009

IUPACN-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-3-27-17-10-8-16(9-11-17)23-21(25)15-24-13-12-22-14-19(24)18-6-4-5-7-20(18)26-2;/h4-11,19,22H,3,12-15H2,1-2H3,(H,23,25);1H
InChIKeyDBOXERNFYSZCIA-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.10
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride

N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120754009) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120754009
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCOc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H27N3O3.ClH/c1-3-27-17-10-8-16(9-11-17)23-21(25)15-24-13-12-22-14-19(24)18-6-4-5-7-20(18)26-2;/h4-11,19,22H,3,12-15H2,1-2H3,(H,23,25);1H
InChIKeyDBOXERNFYSZCIA-UHFFFAOYSA-N
XLogP3.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120754009) is N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is CCOc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is DBOXERNFYSZCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.ClH/c1-3-27-17-10-8-16(9-11-17)23-21(25)15-24-13-12-22-14-19(24)18-6-4-5-7-20(18)26-2;/h4-11,19,22H,3,12-15H2,1-2H3,(H,23,25);1H.
What are the key properties of N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120754009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).