3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

C20H23F3N4O3 — CID 91810046

IUPAC3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O3/c1-12-24-17(20(21,22)23)11-18(25-12)27-6-4-14(5-7-27)26-19(28)13-8-15(29-2)10-16(9-13)30-3/h8-11,14H,4-7H2,1-3H3,(H,26,28)
InChIKeyYZFVUUNUZBQQJU-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.22
Rot. Bonds5

About 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide

3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (PubChem CID 91810046) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
PubChem CID91810046
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1
InChIInChI=1S/C20H23F3N4O3/c1-12-24-17(20(21,22)23)11-18(25-12)27-6-4-14(5-7-27)26-19(28)13-8-15(29-2)10-16(9-13)30-3/h8-11,14H,4-7H2,1-3H3,(H,26,28)
InChIKeyYZFVUUNUZBQQJU-UHFFFAOYSA-N
XLogP3.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide (CID 91810046) is 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is COc1cc(OC)cc(C(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
The InChIKey is YZFVUUNUZBQQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-12-24-17(20(21,22)23)11-18(25-12)27-6-4-14(5-7-27)26-19(28)13-8-15(29-2)10-16(9-13)30-3/h8-11,14H,4-7H2,1-3H3,(H,26,28).
What are the key properties of 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide?
3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide has a molecular weight of 424.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 91810046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).