1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride

C18H28ClN3O3 — CID 119763349

IUPAC1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-15-5-3-4-6-16(15)13-17(22)20-8-10-21(11-9-20)18(23)14-19-7-12-24-2;/h3-6,19H,7-14H2,1-2H3;1H
InChIKeyMYBHXOKGEHVFAA-UHFFFAOYSA-N
MW369.89 g/mol
LogP0.87
Rot. Bonds7

About 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride

1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 119763349) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
PubChem CID119763349
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-15-5-3-4-6-16(15)13-17(22)20-8-10-21(11-9-20)18(23)14-19-7-12-24-2;/h3-6,19H,7-14H2,1-2H3;1H
InChIKeyMYBHXOKGEHVFAA-UHFFFAOYSA-N
XLogP0.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
2-(2-methoxyethylamino)-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 86813968
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
1-(4-benzyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119399445
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
tert-butyl N-[2-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108916144
2-(2-methoxyethylamino)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119829459
2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 119801171
2-(2-methoxyethylamino)-1-[4-(3-methylanilino)piperidin-1-yl]ethanone;dihydrochloride
CID 119892742
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride (CID 119763349) is 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride is COCCNCC(=O)N1CCN(C(=O)Cc2ccccc2C)CC1.Cl.
What is the InChIKey of 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is MYBHXOKGEHVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-15-5-3-4-6-16(15)13-17(22)20-8-10-21(11-9-20)18(23)14-19-7-12-24-2;/h3-6,19H,7-14H2,1-2H3;1H.
What are the key properties of 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride?
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119763349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).