4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride

C20H24ClN3O4 — CID 120732884

IUPAC4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-18-5-3-2-4-16(18)17-12-22-10-11-23(17)19(24)13-27-15-8-6-14(7-9-15)20(21)25;/h2-9,17,22H,10-13H2,1H3,(H2,21,25);1H
InChIKeyYNNUJJJKDQTJOL-UHFFFAOYSA-N
MW405.88 g/mol
LogP1.77
Rot. Bonds6

About 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride

4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 120732884) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
PubChem CID120732884
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)COc1ccc(C(N)=O)cc1.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-18-5-3-2-4-16(18)17-12-22-10-11-23(17)19(24)13-27-15-8-6-14(7-9-15)20(21)25;/h2-9,17,22H,10-13H2,1H3,(H2,21,25);1H
InChIKeyYNNUJJJKDQTJOL-UHFFFAOYSA-N
XLogP1.77
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
CID 120735273
2-(2,6-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735437
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735093
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
2-cyclopentyloxy-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735006
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
2-(2,4-dimethylphenoxy)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735094
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride (CID 120732884) is 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride is COc1ccccc1C1CNCCN1C(=O)COc1ccc(C(N)=O)cc1.Cl.
What is the InChIKey of 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is YNNUJJJKDQTJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c1-26-18-5-3-2-4-16(18)17-12-22-10-11-23(17)19(24)13-27-15-8-6-14(7-9-15)20(21)25;/h2-9,17,22H,10-13H2,1H3,(H2,21,25);1H.
What are the key properties of 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride?
4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 120732884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).