4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide

C20H26N4O2+2 — CID 4296629

IUPAC4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c21-20(26)17-6-8-18(9-7-17)22-19(25)15-24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,21,26)(H,22,25)/p+2
InChIKeyNDAVEJBRWDBPEO-UHFFFAOYSA-P
MW354.45 g/mol
LogP-1.29
Rot. Bonds6

About 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide

4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide (PubChem CID 4296629) has the molecular formula C20H26N4O2+2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
PubChem CID4296629
Molecular FormulaC20H26N4O2+2
Molecular Weight354.45 g/mol
Exact Mass354.20
IUPAC Name4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N4O2/c21-20(26)17-6-8-18(9-7-17)22-19(25)15-24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,21,26)(H,22,25)/p+2
InChIKeyNDAVEJBRWDBPEO-UHFFFAOYSA-P
XLogP-1.29
TPSA81.07 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide 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

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8902431
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
4-[[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 2697707
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 9114365
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8720462
2-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide
CID 9046873
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9293180
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9275156

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide (CID 4296629) is 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide?
The InChIKey is NDAVEJBRWDBPEO-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24N4O2/c21-20(26)17-6-8-18(9-7-17)22-19(25)15-24-12-10-23(11-13-24)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H2,21,26)(H,22,25)/p+2.
What are the key properties of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide?
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide has a molecular weight of 354.45 g/mol, XLogP of -1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 4296629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).