1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one

C11H14FN3O — CID 106832557

IUPAC1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
SMILESCCc1ncnc(N2CCC(=O)CC2)c1F
InChIInChI=1S/C11H14FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7H,2-6H2,1H3
InChIKeyHPJVMLARYDKETJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.35
Rot. Bonds2

About 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one

1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one (PubChem CID 106832557) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
PubChem CID106832557
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one
SMILESCCc1ncnc(N2CCC(=O)CC2)c1F
InChIInChI=1S/C11H14FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7H,2-6H2,1H3
InChIKeyHPJVMLARYDKETJ-UHFFFAOYSA-N
XLogP1.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one 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-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one (CID 106832557) is 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one is CCc1ncnc(N2CCC(=O)CC2)c1F.
What is the InChIKey of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one?
The InChIKey is HPJVMLARYDKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-2-9-10(12)11(14-7-13-9)15-5-3-8(16)4-6-15/h7H,2-6H2,1H3.
What are the key properties of 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one?
1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one has a molecular weight of 223.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 106832557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).