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

C22H28ClN3O2 — CID 120741686

IUPACN-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-17-4-8-19(9-5-17)21-15-23-12-13-25(21)22(27)14-18-6-10-20(11-7-18)24-16(2)26;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,26);1H
InChIKeyBPWQLIMLQBIESJ-UHFFFAOYSA-N
MW401.94 g/mol
LogP3.34
Rot. Bonds5

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

N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride (PubChem CID 120741686) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
PubChem CID120741686
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC NameN-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)Cc2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C22H27N3O2.ClH/c1-3-17-4-8-19(9-5-17)21-15-23-12-13-25(21)22(27)14-18-6-10-20(11-7-18)24-16(2)26;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,26);1H
InChIKeyBPWQLIMLQBIESJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120741698
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 120740374
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 120739990
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120740582
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylsulfonylethanone
CID 120741179
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride (CID 120741686) is N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride is CCc1ccc(C2CNCCN2C(=O)Cc2ccc(NC(C)=O)cc2)cc1.Cl.
What is the InChIKey of N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride?
The InChIKey is BPWQLIMLQBIESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.ClH/c1-3-17-4-8-19(9-5-17)21-15-23-12-13-25(21)22(27)14-18-6-10-20(11-7-18)24-16(2)26;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,26);1H.
What are the key properties of N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride?
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride has a molecular weight of 401.94 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120741686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).