3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide

C12H15F3N4O2 — CID 128980921

IUPAC3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(O)(C(N)=O)C2)n1
InChIInChI=1S/C12H15F3N4O2/c1-7-5-8(12(13,14)15)18-10(17-7)19-4-2-3-11(21,6-19)9(16)20/h5,21H,2-4,6H2,1H3,(H2,16,20)
InChIKeyASPXFYCZVDUKJL-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.62
Rot. Bonds2

About 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide

3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 128980921) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID128980921
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)nc(N2CCCC(O)(C(N)=O)C2)n1
InChIInChI=1S/C12H15F3N4O2/c1-7-5-8(12(13,14)15)18-10(17-7)19-4-2-3-11(21,6-19)9(16)20/h5,21H,2-4,6H2,1H3,(H2,16,20)
InChIKeyASPXFYCZVDUKJL-UHFFFAOYSA-N
XLogP0.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide 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 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide (CID 128980921) is 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide is Cc1cc(C(F)(F)F)nc(N2CCCC(O)(C(N)=O)C2)n1.
What is the InChIKey of 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is ASPXFYCZVDUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-7-5-8(12(13,14)15)18-10(17-7)19-4-2-3-11(21,6-19)9(16)20/h5,21H,2-4,6H2,1H3,(H2,16,20).
What are the key properties of 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide?
3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 128980921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).