5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

C24H34N4O2 — CID 56722665

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56722665) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 56722665
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
• SMILES: CN(CC1CCCN1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1
• InChI: InChI=1S/C24H34N4O2/c1-26-12-6-9-21(26)17-27(2)24(29)23-16-22(30-25-23)18-28-13-10-20(11-14-28)15-19-7-4-3-5-8-19/h3-5,7-8,16,20-21H,6,9-15,17-18H2,1-2H3
• InChIKey: IKWYCGCLKLZZPR-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 52.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide (CID 56722665) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is CN(CC1CCCN1C)C(=O)c1cc(CN2CCC(Cc3ccccc3)CC2)on1.

What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is IKWYCGCLKLZZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-26-12-6-9-21(26)17-27(2)24(29)23-16-22(30-25-23)18-28-13-10-20(11-14-28)15-19-7-4-3-5-8-19/h3-5,7-8,16,20-21H,6,9-15,17-18H2,1-2H3.

What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide?

5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56722665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).