2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C20H23F3N4O — CID 91631481

IUPAC2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O/c1-12-4-5-13(2)16(10-12)19(28)26-15-6-8-27(9-7-15)18-11-17(20(21,22)23)24-14(3)25-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,26,28)
InChIKeyXFFBWRHUZPJZBO-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.82
Rot. Bonds3

About 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91631481) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91631481
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O/c1-12-4-5-13(2)16(10-12)19(28)26-15-6-8-27(9-7-15)18-11-17(20(21,22)23)24-14(3)25-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,26,28)
InChIKeyXFFBWRHUZPJZBO-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91631481) is 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is Cc1ccc(C)c(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is XFFBWRHUZPJZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-12-4-5-13(2)16(10-12)19(28)26-15-6-8-27(9-7-15)18-11-17(20(21,22)23)24-14(3)25-18/h4-5,10-11,15H,6-9H2,1-3H3,(H,26,28).
What are the key properties of 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91631481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).