2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide

C18H20N4O2 — CID 123428745

IUPAC2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
SMILESCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C18H20N4O2/c1-14(23)21-9-11-22(12-10-21)17-7-3-2-6-16(17)18(24)20-15-5-4-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyLUXTVXKJDRSZPP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.00
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide

2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide (PubChem CID 123428745) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
PubChem CID123428745
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide
SMILESCC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1
InChIInChI=1S/C18H20N4O2/c1-14(23)21-9-11-22(12-10-21)17-7-3-2-6-16(17)18(24)20-15-5-4-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,24)
InChIKeyLUXTVXKJDRSZPP-UHFFFAOYSA-N
XLogP2.00
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(2R)-1-oxo-1-[4-[2-(pyridin-3-ylcarbamoyl)phenyl]piperazin-1-yl]propan-2-yl]benzamide
CID 59548832
N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
2-(propan-2-ylideneamino)-N-pyridin-3-ylbenzamide
CID 50851065
2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548845
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606
2-[4-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]-N-pyridin-4-ylbenzamide
CID 59548921
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
N-(6-acetamido-3-pyridinyl)-2-[4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperazin-1-yl]benzamide
CID 59548758
4-formyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 110706402
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide (CID 123428745) is 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide is CC(=O)N1CCN(c2ccccc2C(=O)Nc2cccnc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide?
The InChIKey is LUXTVXKJDRSZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14(23)21-9-11-22(12-10-21)17-7-3-2-6-16(17)18(24)20-15-5-4-8-19-13-15/h2-8,13H,9-12H2,1H3,(H,20,24).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide?
2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 123428745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).