N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

C20H23F3N4O — CID 91809869

IUPACN-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O/c1-12-8-13(2)10-16(9-12)26-19(28)15-4-6-27(7-5-15)18-11-17(20(21,22)23)24-14(3)25-18/h8-11,15H,4-7H2,1-3H3,(H,26,28)
InChIKeyZTJCDGBANMVNIH-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.28
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 91809869) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID91809869
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O/c1-12-8-13(2)10-16(9-12)26-19(28)15-4-6-27(7-5-15)18-11-17(20(21,22)23)24-14(3)25-18/h8-11,15H,4-7H2,1-3H3,(H,26,28)
InChIKeyZTJCDGBANMVNIH-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 91809869) is N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is Cc1cc(C)cc(NC(=O)C2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is ZTJCDGBANMVNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-12-8-13(2)10-16(9-12)26-19(28)15-4-6-27(7-5-15)18-11-17(20(21,22)23)24-14(3)25-18/h8-11,15H,4-7H2,1-3H3,(H,26,28).
What are the key properties of N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 91809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).