1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide

C22H33N5O4 — CID 38150611

About 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide (PubChem CID 38150611) has the molecular formula C22H33N5O4 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
• PubChem CID: 38150611
• Molecular Formula: C22H33N5O4
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.25
• IUPAC Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2noc(CN3CCC(C(=O)NCCCN(C)C)CC3)n2)cc1OC
• InChI: InChI=1S/C22H33N5O4/c1-26(2)11-5-10-23-22(28)16-8-12-27(13-9-16)15-20-24-21(25-31-20)17-6-7-18(29-3)19(14-17)30-4/h6-7,14,16H,5,8-13,15H2,1-4H3,(H,23,28)
• InChIKey: CAGSKIZNRXXZBM-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 92.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide (CID 38150611) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)NCCCN(C)C)CC3)n2)cc1OC.

What is the InChIKey of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?

The InChIKey is CAGSKIZNRXXZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4/c1-26(2)11-5-10-23-22(28)16-8-12-27(13-9-16)15-20-24-21(25-31-20)17-6-7-18(29-3)19(14-17)30-4/h6-7,14,16H,5,8-13,15H2,1-4H3,(H,23,28).

What are the key properties of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide?

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(dimethylamino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 38150611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).