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

C21H28ClN3O2 — CID 120753308

IUPACN-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-3-16-8-10-17(11-9-16)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
InChIKeyZGJNAGGHJOKFAD-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.26
Rot. Bonds6

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

N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120753308) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120753308
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC NameN-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-3-16-8-10-17(11-9-16)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
InChIKeyZGJNAGGHJOKFAD-UHFFFAOYSA-N
XLogP3.26
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
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-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-(2,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754096
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120753308) is N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is CCc1ccc(NC(=O)CN2CCNCC2c2ccccc2OC)cc1.Cl.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is ZGJNAGGHJOKFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-3-16-8-10-17(11-9-16)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-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120753308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).