1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C20H23F3N4O — CID 648569

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C20H23F3N4O/c1-13-10-14(2)26-19(25-13)27-8-6-16(7-9-27)18(28)24-12-15-4-3-5-17(11-15)20(21,22)23/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyKZCIEFIEJTUPMA-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.65
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 648569) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID648569
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C20H23F3N4O/c1-13-10-14(2)26-19(25-13)27-8-6-16(7-9-27)18(28)24-12-15-4-3-5-17(11-15)20(21,22)23/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,24,28)
InChIKeyKZCIEFIEJTUPMA-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 648569) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is KZCIEFIEJTUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-13-10-14(2)26-19(25-13)27-8-6-16(7-9-27)18(28)24-12-15-4-3-5-17(11-15)20(21,22)23/h3-5,10-11,16H,6-9,12H2,1-2H3,(H,24,28).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 648569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).