2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

C21H26ClN3O — CID 22199281

IUPAC2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-15-10-16(2)12-19(11-15)23-21(26)14-24-6-8-25(9-7-24)20-13-18(22)5-4-17(20)3/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,26)
InChIKeyKBTQMSGWMIOXSY-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 22199281) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID22199281
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C21H26ClN3O/c1-15-10-16(2)12-19(11-15)23-21(26)14-24-6-8-25(9-7-24)20-13-18(22)5-4-17(20)3/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,26)
InChIKeyKBTQMSGWMIOXSY-UHFFFAOYSA-N
XLogP4.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8591268
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6467861
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8591338
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 22199310
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 8591261

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide (CID 22199281) is 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(c3cc(Cl)ccc3C)CC2)c1.
What is the InChIKey of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is KBTQMSGWMIOXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-15-10-16(2)12-19(11-15)23-21(26)14-24-6-8-25(9-7-24)20-13-18(22)5-4-17(20)3/h4-5,10-13H,6-9,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 371.91 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 22199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).