2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

C16H22ClN3O2 — CID 4826058

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)12-16(22)18-7-6-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyIOPSUHRMMWWSTF-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.16
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 4826058) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID4826058
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)12-16(22)18-7-6-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyIOPSUHRMMWWSTF-UHFFFAOYSA-N
XLogP1.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.16
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-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 4826058) is 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide is CC(=O)N1CCN(CC(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is IOPSUHRMMWWSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-13(21)20-10-8-19(9-11-20)12-16(22)18-7-6-14-2-4-15(17)5-3-14/h2-5H,6-12H2,1H3,(H,18,22).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 323.82 g/mol, XLogP of 1.16, 5 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-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 4826058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).