3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

C26H27F3N4O2 — CID 46474744

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (PubChem CID 46474744) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
• PubChem CID: 46474744
• Molecular Formula: C26H27F3N4O2
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.21
• IUPAC Name: 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
• SMILES: Cc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C)c1OCc1cccnc1
• InChI: InChI=1S/C26H27F3N4O2/c1-17-12-20(13-18(2)24(17)35-16-19-4-3-9-30-14-19)25(34)32-22-7-10-33(11-8-22)23-6-5-21(15-31-23)26(27,28)29/h3-6,9,12-15,22H,7-8,10-11,16H2,1-2H3,(H,32,34)
• InChIKey: HYOXONLRAFBNIH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?

The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide (CID 46474744) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?

The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is Cc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C)c1OCc1cccnc1.

What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?

The InChIKey is HYOXONLRAFBNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-17-12-20(13-18(2)24(17)35-16-19-4-3-9-30-14-19)25(34)32-22-7-10-33(11-8-22)23-6-5-21(15-31-23)26(27,28)29/h3-6,9,12-15,22H,7-8,10-11,16H2,1-2H3,(H,32,34).

What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide?

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide has a molecular weight of 484.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46474744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).