N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine

C34H40F6N4O2 — CID 142809364

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine (PubChem CID 142809364) has the molecular formula C34H40F6N4O2 and a molecular weight of 650.71 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine
• PubChem CID: 142809364
• Molecular Formula: C34H40F6N4O2
• Molecular Weight: 650.71 g/mol
• Exact Mass: 650.31
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine
• SMILES: C=C(C)N1CCN(c2cc(-c3ccccc3C)c(C)c(OC)n2)CC1.CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O
• InChI: InChI=1S/C21H27N3O.C13H13F6NO/c1-15(2)23-10-12-24(13-11-23)20-14-19(17(4)21(22-20)25-5)18-9-7-6-8-16(18)3;1-3-20(8(2)21)7-9-4-10(12(14,15)16)6-11(5-9)13(17,18)19/h6-9,14H,1,10-13H2,2-5H3;4-6H,3,7H2,1-2H3
• InChIKey: QZAMOQCEUHCMCF-UHFFFAOYSA-N
• XLogP: 8.12
• TPSA: 48.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.71
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine (CID 142809364) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(c2cc(-c3ccccc3C)c(C)c(OC)n2)CC1.CCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(C)=O.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine?

The InChIKey is QZAMOQCEUHCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.C13H13F6NO/c1-15(2)23-10-12-24(13-11-23)20-14-19(17(4)21(22-20)25-5)18-9-7-6-8-16(18)3;1-3-20(8(2)21)7-9-4-10(12(14,15)16)6-11(5-9)13(17,18)19/h6-9,14H,1,10-13H2,2-5H3;4-6H,3,7H2,1-2H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine has a molecular weight of 650.71 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-ethylacetamide;1-[6-methoxy-5-methyl-4-(2-methylphenyl)-2-pyridinyl]-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 142809364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).