N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride

C20H23Cl2N3O2 — CID 120771171

IUPACN-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccccc1NC(=O)CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-14(25)17-7-2-3-8-18(17)23-20(26)13-24-10-9-22-12-19(24)15-5-4-6-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26);1H
InChIKeyWYLHFUSPMHQEHQ-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.55
Rot. Bonds5

About N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride

N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120771171) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120771171
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC NameN-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCC(=O)c1ccccc1NC(=O)CN1CCNCC1c1cccc(Cl)c1.Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c1-14(25)17-7-2-3-8-18(17)23-20(26)13-24-10-9-22-12-19(24)15-5-4-6-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26);1H
InChIKeyWYLHFUSPMHQEHQ-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 120771204
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 120771117
N-(4-chloro-2-methylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757048
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
N-benzyl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120771028
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523
N-(2-bromophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756344
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 120771238
2-[[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 120770920
3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
2-[2-(3-chlorophenyl)piperazin-1-yl]-N-(1-ethylpiperidin-4-yl)acetamide
CID 120771058

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride (CID 120771171) is N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride is CC(=O)c1ccccc1NC(=O)CN1CCNCC1c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is WYLHFUSPMHQEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c1-14(25)17-7-2-3-8-18(17)23-20(26)13-24-10-9-22-12-19(24)15-5-4-6-16(21)11-15;/h2-8,11,19,22H,9-10,12-13H2,1H3,(H,23,26);1H.
What are the key properties of N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride?
N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120771171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).