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

C22H30N4O2+2 — CID 8902431

IUPAC4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-24(2)22(28)19-8-10-20(11-9-19)23-21(27)17-26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,27)/p+2
InChIKeyZASXWOZIAOIEJE-UHFFFAOYSA-P
MW382.51 g/mol
LogP-0.69
Rot. Bonds6

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

4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 8902431) has the molecular formula C22H30N4O2+2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID8902431
Molecular FormulaC22H30N4O2+2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C[NH+]2CC[NH+](Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-24(2)22(28)19-8-10-20(11-9-19)23-21(27)17-26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,27)/p+2
InChIKeyZASXWOZIAOIEJE-UHFFFAOYSA-P
XLogP-0.69
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]benzamide
CID 4296629
4-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 8895842
4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8531390
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
4-[[2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8932592
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
N,N-dimethyl-4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide
CID 8546386
N-benzyl-2-(4-benzylpiperazine-1,4-diium-1-yl)acetamide
CID 8902621
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9293180

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 8902431) is 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=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]-N,N-dimethylbenzamide?
The InChIKey is ZASXWOZIAOIEJE-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H28N4O2/c1-24(2)22(28)19-8-10-20(11-9-19)23-21(27)17-26-14-12-25(13-15-26)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3,(H,23,27)/p+2.
What are the key properties of 4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 382.51 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 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]-N,N-dimethylbenzamide is sourced from PubChem (CID 8902431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).