2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride

C22H30ClN3O2 — CID 120758014

IUPAC2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2cc(C)ccc2OC)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-4-17-6-8-18(9-7-17)20-14-23-11-12-25(20)15-22(26)24-19-13-16(2)5-10-21(19)27-3;/h5-10,13,20,23H,4,11-12,14-15H2,1-3H3,(H,24,26);1H
InChIKeyHQJVLLODEZYHKL-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride (PubChem CID 120758014) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
PubChem CID120758014
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
SMILESCCc1ccc(C2CNCCN2CC(=O)Nc2cc(C)ccc2OC)cc1.Cl
InChIInChI=1S/C22H29N3O2.ClH/c1-4-17-6-8-18(9-7-17)20-14-23-11-12-25(20)15-22(26)24-19-13-16(2)5-10-21(19)27-3;/h5-10,13,20,23H,4,11-12,14-15H2,1-3H3,(H,24,26);1H
InChIKeyHQJVLLODEZYHKL-UHFFFAOYSA-N
XLogP3.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide;hydrochloride
CID 120758174
N-(4-acetamidophenyl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120758000
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
N-(2,5-dimethylphenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756812
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 120758267
2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-ethylphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120757864
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride (CID 120758014) is 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride is CCc1ccc(C2CNCCN2CC(=O)Nc2cc(C)ccc2OC)cc1.Cl.
What is the InChIKey of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride?
The InChIKey is HQJVLLODEZYHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.ClH/c1-4-17-6-8-18(9-7-17)20-14-23-11-12-25(20)15-22(26)24-19-13-16(2)5-10-21(19)27-3;/h5-10,13,20,23H,4,11-12,14-15H2,1-3H3,(H,24,26);1H.
What are the key properties of 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride?
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride has a molecular weight of 403.95 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120758014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).