3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one

C15H20F3N3O2 — CID 146123651

IUPAC3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)12-6-13(22)21(9-19-12)8-14(23)20-5-3-4-11(7-20)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyWBGQEUCOCSCEPI-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.17
Rot. Bonds3

About 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one

3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 146123651) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID146123651
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)cn1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)12-6-13(22)21(9-19-12)8-14(23)20-5-3-4-11(7-20)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3
InChIKeyWBGQEUCOCSCEPI-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one (CID 146123651) is 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC(=O)N2CCCC(C(F)(F)F)C2)cn1.
What is the InChIKey of 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is WBGQEUCOCSCEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(2)12-6-13(22)21(9-19-12)8-14(23)20-5-3-4-11(7-20)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one?
3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 331.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 146123651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).