1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone

C11H14FN3O — CID 116559534

IUPAC1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1ccncc1F
InChIInChI=1S/C11H14FN3O/c12-10-7-14-2-1-9(10)11(16)8-15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2
InChIKeyKAOPPZZSTKVYAU-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.31
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone

1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone (PubChem CID 116559534) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
PubChem CID116559534
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1ccncc1F
InChIInChI=1S/C11H14FN3O/c12-10-7-14-2-1-9(10)11(16)8-15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2
InChIKeyKAOPPZZSTKVYAU-UHFFFAOYSA-N
XLogP0.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone (CID 116559534) is 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone?
The InChIKey is KAOPPZZSTKVYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-10-7-14-2-1-9(10)11(16)8-15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone?
1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone has a molecular weight of 223.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 116559534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).