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

C21H28ClN3O2 — CID 120753875

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(C)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16(17-8-4-3-5-9-17)23-21(25)15-24-13-12-22-14-19(24)18-10-6-7-11-20(18)26-2;/h3-11,16,19,22H,12-15H2,1-2H3,(H,23,25);1H
InChIKeyOEVHGFDBDLQBLC-UHFFFAOYSA-N
MW389.93 g/mol
LogP2.94
Rot. Bonds6

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

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride (PubChem CID 120753875) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
PubChem CID120753875
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1CC(=O)NC(C)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16(17-8-4-3-5-9-17)23-21(25)15-24-13-12-22-14-19(24)18-10-6-7-11-20(18)26-2;/h3-11,16,19,22H,12-15H2,1-2H3,(H,23,25);1H
InChIKeyOEVHGFDBDLQBLC-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 120754020
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753217
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 120753177
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308
N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753574
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 120753647

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride (CID 120753875) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride is COc1ccccc1C1CNCCN1CC(=O)NC(C)c1ccccc1.Cl.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
The InChIKey is OEVHGFDBDLQBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-16(17-8-4-3-5-9-17)23-21(25)15-24-13-12-22-14-19(24)18-10-6-7-11-20(18)26-2;/h3-11,16,19,22H,12-15H2,1-2H3,(H,23,25);1H.
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120753875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).