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

C15H21Cl2N3O2 — CID 119330503

IUPAC4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C15H20ClN3O2.ClH/c16-13-5-3-12(4-6-13)10-18-8-9-19(11-15(18)21)14(20)2-1-7-17;/h3-6H,1-2,7-11,17H2;1H
InChIKeyBGEYCDZXWUVTNP-UHFFFAOYSA-N
MW346.26 g/mol
LogP1.67
Rot. Bonds5

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

4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride (PubChem CID 119330503) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
PubChem CID119330503
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C15H20ClN3O2.ClH/c16-13-5-3-12(4-6-13)10-18-8-9-19(11-15(18)21)14(20)2-1-7-17;/h3-6H,1-2,7-11,17H2;1H
InChIKeyBGEYCDZXWUVTNP-UHFFFAOYSA-N
XLogP1.67
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119795947
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
CID 119795968
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494
4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 119795936
1-[(4-chlorophenyl)methyl]-4-(4-hydroxybutyl)piperazin-2-one
CID 111436483
4-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119832689
1-[(4-chlorophenyl)methyl]-4-(pyrrolidine-2-carbonyl)piperazin-2-one
CID 119330488
1-[(4-chlorophenyl)methyl]-4-[(3S)-1,1-dioxothiolane-3-carbonyl]piperazin-2-one
CID 100618880
1-[(4-methylphenyl)methyl]-4-[2-(2,3,4-trifluorophenyl)acetyl]piperazin-2-one
CID 70733594
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride (CID 119330503) is 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride is Cl.NCCCC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
The InChIKey is BGEYCDZXWUVTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c16-13-5-3-12(4-6-13)10-18-8-9-19(11-15(18)21)14(20)2-1-7-17;/h3-6H,1-2,7-11,17H2;1H.
What are the key properties of 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride?
4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 119330503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).