4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one

C10H10F3N3O — CID 76673371

IUPAC4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
SMILESO=C1CC(c2cnc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-4-7(5-16-9)6-1-2-14-8(17)3-6/h4-6H,1-3H2,(H,14,17)
InChIKeyNPHZWYWQFHTGFH-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.49
Rot. Bonds1

About 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one

4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one (PubChem CID 76673371) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
PubChem CID76673371
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one
SMILESO=C1CC(c2cnc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)9-15-4-7(5-16-9)6-1-2-14-8(17)3-6/h4-6H,1-3H2,(H,14,17)
InChIKeyNPHZWYWQFHTGFH-UHFFFAOYSA-N
XLogP1.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-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 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one?
The IUPAC name of 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one (CID 76673371) is 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one.
What is the SMILES notation for 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one?
The canonical SMILES for 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one is O=C1CC(c2cnc(C(F)(F)F)nc2)CCN1.
What is the InChIKey of 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one?
The InChIKey is NPHZWYWQFHTGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)9-15-4-7(5-16-9)6-1-2-14-8(17)3-6/h4-6H,1-3H2,(H,14,17).
What are the key properties of 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one?
4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-2-one is sourced from PubChem (CID 76673371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).