2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide

C24H34F5N3O — CID 163429880

About 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 163429880) has the molecular formula C24H34F5N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
• PubChem CID: 163429880
• Molecular Formula: C24H34F5N3O
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.26
• IUPAC Name: 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
• SMILES: C=C(NCC1CCN(CC(=O)NC(C)C)CC1)C1=CC(C(F)(F)F)=CC(C(F)(F)C(=C)C)C1
• InChI: InChI=1S/C24H34F5N3O/c1-15(2)23(25,26)20-10-19(11-21(12-20)24(27,28)29)17(5)30-13-18-6-8-32(9-7-18)14-22(33)31-16(3)4/h11-12,16,18,20,30H,1,5-10,13-14H2,2-4H3,(H,31,33)
• InChIKey: APOPWLPYVINDJI-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?

The IUPAC name of 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 163429880) is 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide is C=C(NCC1CCN(CC(=O)NC(C)C)CC1)C1=CC(C(F)(F)F)=CC(C(F)(F)C(=C)C)C1.

What is the InChIKey of 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?

The InChIKey is APOPWLPYVINDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F5N3O/c1-15(2)23(25,26)20-10-19(11-21(12-20)24(27,28)29)17(5)30-13-18-6-8-32(9-7-18)14-22(33)31-16(3)4/h11-12,16,18,20,30H,1,5-10,13-14H2,2-4H3,(H,31,33).

What are the key properties of 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?

2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 475.55 g/mol, XLogP of 4.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[1-[5-(1,1-difluoro-2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethenylamino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 163429880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).