2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide

C15H20FN3O2 — CID 1448807

IUPAC2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H20FN3O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyLVUNIXXQPZAHGL-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.24
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 1448807) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID1448807
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H20FN3O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyLVUNIXXQPZAHGL-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.24
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-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 1448807) is 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is LVUNIXXQPZAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 293.34 g/mol, XLogP of 1.24, 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-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 1448807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).