N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide

C27H31F3N4O2 — CID 72945923

About N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide

N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide (PubChem CID 72945923) has the molecular formula C27H31F3N4O2 and a molecular weight of 500.57 g/mol. Its IUPAC name is N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
• PubChem CID: 72945923
• Molecular Formula: C27H31F3N4O2
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.24
• IUPAC Name: N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
• SMILES: CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)C1CCCN(Cc2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C27H31F3N4O2/c1-4-34(26(35)21-10-11-24(25(14-21)36-3)33-15-19(2)31-18-33)23-9-6-12-32(17-23)16-20-7-5-8-22(13-20)27(28,29)30/h5,7-8,10-11,13-15,18,23H,4,6,9,12,16-17H2,1-3H3
• InChIKey: OWOZPIGYQRDQRB-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide?

The IUPAC name of N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide (CID 72945923) is N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide.

What is the SMILES notation for N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide?

The canonical SMILES for N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide is CCN(C(=O)c1ccc(-n2cnc(C)c2)c(OC)c1)C1CCCN(Cc2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide?

The InChIKey is OWOZPIGYQRDQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O2/c1-4-34(26(35)21-10-11-24(25(14-21)36-3)33-15-19(2)31-18-33)23-9-6-12-32(17-23)16-20-7-5-8-22(13-20)27(28,29)30/h5,7-8,10-11,13-15,18,23H,4,6,9,12,16-17H2,1-3H3.

What are the key properties of N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide?

N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide has a molecular weight of 500.57 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-methoxy-4-(4-methylimidazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 72945923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).