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

C20H26ClN3O2+2 — CID 9258599

IUPAC2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-7-5-18(6-8-19)22-20(25)15-24-11-9-23(10-12-24)14-16-3-2-4-17(21)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+2
InChIKeyYPGWGXYGBBNYRJ-UHFFFAOYSA-P
MW375.90 g/mol
LogP0.27
Rot. Bonds6

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

2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 9258599) has the molecular formula C20H26ClN3O2+2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID9258599
Molecular FormulaC20H26ClN3O2+2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-7-5-18(6-8-19)22-20(25)15-24-11-9-23(10-12-24)14-16-3-2-4-17(21)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+2
InChIKeyYPGWGXYGBBNYRJ-UHFFFAOYSA-P
XLogP0.27
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8720958
N-(2-chlorophenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434222
2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9260155
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methylpropyl)acetamide
CID 9258784
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9258677
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8599686
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
CID 7473112
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8720944
N-(2-chloro-4-fluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9129968
N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130177
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide (CID 9258599) is 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)C[NH+]2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is YPGWGXYGBBNYRJ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-7-5-18(6-8-19)22-20(25)15-24-11-9-23(10-12-24)14-16-3-2-4-17(21)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+2.
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 375.90 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9258599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).