2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide

C21H28N4O — CID 13118142

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide
SMILESCc1cc(C)c(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C21H28N4O/c1-15-13-16(2)18(4)21(17(15)3)23-20(26)14-24-9-11-25(12-10-24)19-7-5-6-8-22-19/h5-8,13H,9-12,14H2,1-4H3,(H,23,26)
InChIKeyZMGVBUYVHOXEDX-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide

2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide (PubChem CID 13118142) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide
PubChem CID13118142
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide
SMILESCc1cc(C)c(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C21H28N4O/c1-15-13-16(2)18(4)21(17(15)3)23-20(26)14-24-9-11-25(12-10-24)19-7-5-6-8-22-19/h5-8,13H,9-12,14H2,1-4H3,(H,23,26)
InChIKeyZMGVBUYVHOXEDX-UHFFFAOYSA-N
XLogP3.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide (CID 13118142) is 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide is Cc1cc(C)c(C)c(NC(=O)CN2CCN(c3ccccn3)CC2)c1C.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide?
The InChIKey is ZMGVBUYVHOXEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-13-16(2)18(4)21(17(15)3)23-20(26)14-24-9-11-25(12-10-24)19-7-5-6-8-22-19/h5-8,13H,9-12,14H2,1-4H3,(H,23,26).
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide?
2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,3,5,6-tetramethylphenyl)acetamide is sourced from PubChem (CID 13118142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).