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

C22H29ClN4O2 — CID 120758000

IUPACN-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C22H28N4O2.ClH/c1-3-17-4-6-18(7-5-17)21-14-23-12-13-26(21)15-22(28)25-20-10-8-19(9-11-20)24-16(2)27;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyUNXXDPRWBSFKMN-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.21
Rot. Bonds6

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

N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120758000) has the molecular formula C22H29ClN4O2 and a molecular weight of 416.95 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120758000
Molecular FormulaC22H29ClN4O2
Molecular Weight416.95 g/mol
Exact Mass416.20
IUPAC NameN-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.Cl
InChIInChI=1S/C22H28N4O2.ClH/c1-3-17-4-6-18(7-5-17)21-14-23-12-13-26(21)15-22(28)25-20-10-8-19(9-11-20)24-16(2)27;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyUNXXDPRWBSFKMN-UHFFFAOYSA-N
XLogP3.21
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757864
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 120758014
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
N-(2-cyclopentylpyrazol-3-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120757938
N-(4-acetamidophenyl)-2-[2-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 120757424
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 120758101
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120758000) is N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride is CCc1ccc(C2CNCCN2CC(=O)Nc2ccc(NC(C)=O)cc2)cc1.Cl.
What is the InChIKey of N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is UNXXDPRWBSFKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.ClH/c1-3-17-4-6-18(7-5-17)21-14-23-12-13-26(21)15-22(28)25-20-10-8-19(9-11-20)24-16(2)27;/h4-11,21,23H,3,12-15H2,1-2H3,(H,24,27)(H,25,28);1H.
What are the key properties of N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 416.95 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120758000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).