2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride

C20H26Cl2N4O2 — CID 119946370

IUPAC2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H24N4O2.2ClH/c21-18-9-5-4-8-17(18)20(26)24-12-10-23(11-13-24)15-19(25)22-14-16-6-2-1-3-7-16;;/h1-9H,10-15,21H2,(H,22,25);2*1H
InChIKeyNGQVWKAOFUHOLC-UHFFFAOYSA-N
MW425.36 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride

2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride (PubChem CID 119946370) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
PubChem CID119946370
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC Name2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C20H24N4O2.2ClH/c21-18-9-5-4-8-17(18)20(26)24-12-10-23(11-13-24)15-19(25)22-14-16-6-2-1-3-7-16;;/h1-9H,10-15,21H2,(H,22,25);2*1H
InChIKeyNGQVWKAOFUHOLC-UHFFFAOYSA-N
XLogP2.19
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
N-benzyl-2-[4-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 78873001
N-benzyl-2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]acetamide
CID 34436116
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
N-benzyl-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetamide
CID 46700155
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-benzylacetamide
CID 119840154
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-benzylacetamide
CID 119840188
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
N-benzyl-2-[4-(1-cyanocyclopentanecarbonyl)piperazin-1-yl]acetamide
CID 39687530
N-benzyl-2-[4-(5-methylsulfanyl-2-nitrobenzoyl)piperazin-1-yl]acetamide
CID 30458589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The IUPAC name of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride (CID 119946370) is 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
The InChIKey is NGQVWKAOFUHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c21-18-9-5-4-8-17(18)20(26)24-12-10-23(11-13-24)15-19(25)22-14-16-6-2-1-3-7-16;;/h1-9H,10-15,21H2,(H,22,25);2*1H.
What are the key properties of 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride?
2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminobenzoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride is sourced from PubChem (CID 119946370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).