1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride

C16H23Cl2N3O3 — CID 119795968

IUPAC1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-9-6-18-10-15(21)20-8-7-19(16(22)12-20)11-13-2-4-14(17)5-3-13;/h2-5,18H,6-12H2,1H3;1H
InChIKeyWLMBIMMZBGLTJL-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.17
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride

1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride (PubChem CID 119795968) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
PubChem CID119795968
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
SMILESCOCCNCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-9-6-18-10-15(21)20-8-7-19(16(22)12-20)11-13-2-4-14(17)5-3-13;/h2-5,18H,6-12H2,1H3;1H
InChIKeyWLMBIMMZBGLTJL-UHFFFAOYSA-N
XLogP1.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.17
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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride (CID 119795968) is 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride is COCCNCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride?
The InChIKey is WLMBIMMZBGLTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-23-9-6-18-10-15(21)20-8-7-19(16(22)12-20)11-13-2-4-14(17)5-3-13;/h2-5,18H,6-12H2,1H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride?
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 119795968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).