2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide

C20H25ClN3O+ — CID 8704659

IUPAC2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-17(13-16(15)2)22-20(25)14-23-9-11-24(12-10-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1
InChIKeyLTUZLGIGJZQKTO-UHFFFAOYSA-O
MW358.89 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 8704659) has the molecular formula C20H25ClN3O+ and a molecular weight of 358.89 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID8704659
Molecular FormulaC20H25ClN3O+
Molecular Weight358.89 g/mol
Exact Mass358.17
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1C
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-17(13-16(15)2)22-20(25)14-23-9-11-24(12-10-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1
InChIKeyLTUZLGIGJZQKTO-UHFFFAOYSA-O
XLogP2.30
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
N-(3,4-dimethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542754
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-cyanophenyl)acetamide
CID 8528279
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8704671
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 8591261
N-(3-chloro-4-fluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2653633
2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8704572
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2656205
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 9443438
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8591365
2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 7419228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide (CID 8704659) is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1C.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is LTUZLGIGJZQKTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O/c1-15-7-8-17(13-16(15)2)22-20(25)14-23-9-11-24(12-10-23)19-6-4-3-5-18(19)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide?
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 358.89 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8704659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).