4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

C23H36N4O — CID 74736674

About 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide (PubChem CID 74736674) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
• PubChem CID: 74736674
• Molecular Formula: C23H36N4O
• Molecular Weight: 384.57 g/mol
• Exact Mass: 384.29
• IUPAC Name: 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)NCC2CC3CCN2CC3CN2CCCCC2)cc1
• InChI: InChI=1S/C23H36N4O/c1-25(2)21-8-6-18(7-9-21)23(28)24-15-22-14-19-10-13-27(22)17-20(19)16-26-11-4-3-5-12-26/h6-9,19-20,22H,3-5,10-17H2,1-2H3,(H,24,28)
• InChIKey: UGMVELZZZGAVCE-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.57
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide (CID 74736674) is 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide is CN(C)c1ccc(C(=O)NCC2CC3CCN2CC3CN2CCCCC2)cc1.

What is the InChIKey of 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The InChIKey is UGMVELZZZGAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-25(2)21-8-6-18(7-9-21)23(28)24-15-22-14-19-10-13-27(22)17-20(19)16-26-11-4-3-5-12-26/h6-9,19-20,22H,3-5,10-17H2,1-2H3,(H,24,28).

What are the key properties of 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide has a molecular weight of 384.57 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[[5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide is sourced from PubChem (CID 74736674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).