1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one

C18H20FN3O — CID 95916514

IUPAC1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one
SMILESCCc1nc(-c2ccc(F)cc2)nc(N2CCC(=O)CC2)c1C
InChIInChI=1S/C18H20FN3O/c1-3-16-12(2)18(22-10-8-15(23)9-11-22)21-17(20-16)13-4-6-14(19)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyMMPGCKHRTQWCRR-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.32
Rot. Bonds3

About 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one

1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one (PubChem CID 95916514) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one
PubChem CID95916514
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one
SMILESCCc1nc(-c2ccc(F)cc2)nc(N2CCC(=O)CC2)c1C
InChIInChI=1S/C18H20FN3O/c1-3-16-12(2)18(22-10-8-15(23)9-11-22)21-17(20-16)13-4-6-14(19)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyMMPGCKHRTQWCRR-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-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-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one?
The IUPAC name of 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one (CID 95916514) is 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one.
What is the SMILES notation for 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one?
The canonical SMILES for 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one is CCc1nc(-c2ccc(F)cc2)nc(N2CCC(=O)CC2)c1C.
What is the InChIKey of 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one?
The InChIKey is MMPGCKHRTQWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-3-16-12(2)18(22-10-8-15(23)9-11-22)21-17(20-16)13-4-6-14(19)7-5-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one?
1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one has a molecular weight of 313.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-ethyl-2-(4-fluorophenyl)-5-methylpyrimidin-4-yl]piperidin-4-one is sourced from PubChem (CID 95916514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).