2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C14H16Cl3N3O2 — CID 2697568

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl3N3O2/c1-9(21)20-4-2-19(3-5-20)8-13(22)18-14-11(16)6-10(15)7-12(14)17/h6-7H,2-5,8H2,1H3,(H,18,22)
InChIKeySQQJLZJKJMLQJY-UHFFFAOYSA-N
MW364.66 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 2697568) has the molecular formula C14H16Cl3N3O2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID2697568
Molecular FormulaC14H16Cl3N3O2
Molecular Weight364.66 g/mol
Exact Mass363.03
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl3N3O2/c1-9(21)20-4-2-19(3-5-20)8-13(22)18-14-11(16)6-10(15)7-12(14)17/h6-7H,2-5,8H2,1H3,(H,18,22)
InChIKeySQQJLZJKJMLQJY-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 2697568) is 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is SQQJLZJKJMLQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl3N3O2/c1-9(21)20-4-2-19(3-5-20)8-13(22)18-14-11(16)6-10(15)7-12(14)17/h6-7H,2-5,8H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 364.66 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 2697568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).