N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

C22H30N4O2+2 — CID 9293180

IUPACN-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)15-25-10-12-26(13-11-25)16-22(28)24-21-8-6-20(7-9-21)23-18(2)27/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+2
InChIKeyZORCJGFLFIXBCZ-UHFFFAOYSA-P
MW382.51 g/mol
LogP-0.12
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9293180) has the molecular formula C22H30N4O2+2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID9293180
Molecular FormulaC22H30N4O2+2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)15-25-10-12-26(13-11-25)16-22(28)24-21-8-6-20(7-9-21)23-18(2)27/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+2
InChIKeyZORCJGFLFIXBCZ-UHFFFAOYSA-P
XLogP-0.12
TPSA67.08 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744806
N-[4-[(2R)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanoyl]phenyl]acetamide
CID 9103828
N-(3-methylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435502
2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9293170
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9258599
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(4-fluorophenyl)acetamide
CID 5155461
(2R)-N-(4-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9266234
methyl (2R,3S)-3-methyl-2-[[2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]pentanoate
CID 8597807
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8597758
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 9293180) is N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is ZORCJGFLFIXBCZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H28N4O2/c1-17-4-3-5-19(14-17)15-25-10-12-26(13-11-25)16-22(28)24-21-8-6-20(7-9-21)23-18(2)27/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+2.
What are the key properties of N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 382.51 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9293180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).