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

C20H22F3N5O2 — CID 91631454

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

N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 91631454) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
• PubChem CID: 91631454
• Molecular Formula: C20H22F3N5O2
• Molecular Weight: 421.42 g/mol
• Exact Mass: 421.17
• IUPAC Name: N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
• SMILES: Cc1nc(N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc(C(F)(F)F)n1
• InChI: InChI=1S/C20H22F3N5O2/c1-13-25-16(20(21,22)23)11-17(26-13)28-9-7-15(8-10-28)27-18(29)12-24-19(30)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,24,30)(H,27,29)
• InChIKey: YOGPNZPNZPTIGK-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 87.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.42
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?

The IUPAC name of N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 91631454) is N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

What is the SMILES notation for N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?

The canonical SMILES for N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is Cc1nc(N2CCC(NC(=O)CNC(=O)c3ccccc3)CC2)cc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?

The InChIKey is YOGPNZPNZPTIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-13-25-16(20(21,22)23)11-17(26-13)28-9-7-15(8-10-28)27-18(29)12-24-19(30)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,24,30)(H,27,29).

What are the key properties of N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?

N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 421.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 91631454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).