2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

C20H23F3N4O2 — CID 91809946

IUPAC2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C20H23F3N4O2/c1-13-24-17(20(21,22)23)12-18(25-13)27-9-7-15(8-10-27)26-19(28)11-14-5-3-4-6-16(14)29-2/h3-6,12,15H,7-11H2,1-2H3,(H,26,28)
InChIKeyOCUXBOVYQZDLCQ-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.14
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91809946) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID91809946
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCOc1ccccc1CC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C20H23F3N4O2/c1-13-24-17(20(21,22)23)12-18(25-13)27-9-7-15(8-10-27)26-19(28)11-14-5-3-4-6-16(14)29-2/h3-6,12,15H,7-11H2,1-2H3,(H,26,28)
InChIKeyOCUXBOVYQZDLCQ-UHFFFAOYSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 91809946) is 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is COc1ccccc1CC(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is OCUXBOVYQZDLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-13-24-17(20(21,22)23)12-18(25-13)27-9-7-15(8-10-27)26-19(28)11-14-5-3-4-6-16(14)29-2/h3-6,12,15H,7-11H2,1-2H3,(H,26,28).
What are the key properties of 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 408.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91809946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).