N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide

C13H17FN4O2 — CID 13290766

IUPACN-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H17FN4O2/c1-9(19)15-12-4-3-11(14)13(16-12)18-7-5-17(6-8-18)10(2)20/h3-4H,5-8H2,1-2H3,(H,15,16,19)
InChIKeyHWPGDILTRAYOKK-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.85
Rot. Bonds2

About N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide

N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide (PubChem CID 13290766) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide
PubChem CID13290766
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C13H17FN4O2/c1-9(19)15-12-4-3-11(14)13(16-12)18-7-5-17(6-8-18)10(2)20/h3-4H,5-8H2,1-2H3,(H,15,16,19)
InChIKeyHWPGDILTRAYOKK-UHFFFAOYSA-N
XLogP0.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide (CID 13290766) is N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide is CC(=O)Nc1ccc(F)c(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is HWPGDILTRAYOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-9(19)15-12-4-3-11(14)13(16-12)18-7-5-17(6-8-18)10(2)20/h3-4H,5-8H2,1-2H3,(H,15,16,19).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide?
N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 280.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 13290766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).