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

C20H23F3N4O2 — CID 91809943

IUPAC2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C20H23F3N4O2/c1-3-29-16-7-5-4-6-15(16)19(28)26-14-8-10-27(11-9-14)18-12-17(20(21,22)23)24-13(2)25-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,26,28)
InChIKeyHEQLFRVJGBQYAE-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.60
Rot. Bonds5

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

2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91809943) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91809943
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1
InChIInChI=1S/C20H23F3N4O2/c1-3-29-16-7-5-4-6-15(16)19(28)26-14-8-10-27(11-9-14)18-12-17(20(21,22)23)24-13(2)25-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,26,28)
InChIKeyHEQLFRVJGBQYAE-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91809943) is 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is CCOc1ccccc1C(=O)NC1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1.
What is the InChIKey of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is HEQLFRVJGBQYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c1-3-29-16-7-5-4-6-15(16)19(28)26-14-8-10-27(11-9-14)18-12-17(20(21,22)23)24-13(2)25-18/h4-7,12,14H,3,8-11H2,1-2H3,(H,26,28).
What are the key properties of 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 408.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).