2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide

C13H19FN4O — CID 167965653

IUPAC2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(F)nc2)CC1
InChIInChI=1S/C13H19FN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-11-3-4-12(14)15-9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyMCDKDCDIKSRUSK-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.80
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide

2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide (PubChem CID 167965653) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide
PubChem CID167965653
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(F)nc2)CC1
InChIInChI=1S/C13H19FN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-11-3-4-12(14)15-9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,19)
InChIKeyMCDKDCDIKSRUSK-UHFFFAOYSA-N
XLogP0.80
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247
N-(5-chloro-2-pyridinyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 4692251
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 17477048
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
2-(4-ethylpiperazin-1-yl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131930825
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide (CID 167965653) is 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide is CCN1CCN(CC(=O)Nc2ccc(F)nc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide?
The InChIKey is MCDKDCDIKSRUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-2-17-5-7-18(8-6-17)10-13(19)16-11-3-4-12(14)15-9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide has a molecular weight of 266.32 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(6-fluoro-3-pyridinyl)acetamide is sourced from PubChem (CID 167965653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).