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

C27H34N4O5 — CID 43927759

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (PubChem CID 43927759) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
• PubChem CID: 43927759
• Molecular Formula: C27H34N4O5
• Molecular Weight: 494.59 g/mol
• Exact Mass: 494.25
• IUPAC Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2noc(CN3CCC(C(=O)NC(C)COc4ccc(C)cc4)CC3)n2)cc1OC
• InChI: InChI=1S/C27H34N4O5/c1-18-5-8-22(9-6-18)35-17-19(2)28-27(32)20-11-13-31(14-12-20)16-25-29-26(30-36-25)21-7-10-23(33-3)24(15-21)34-4/h5-10,15,19-20H,11-14,16-17H2,1-4H3,(H,28,32)
• InChIKey: WFPXDSHHNZJWIL-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 98.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.59
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide (CID 43927759) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)NC(C)COc4ccc(C)cc4)CC3)n2)cc1OC.

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

The InChIKey is WFPXDSHHNZJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-18-5-8-22(9-6-18)35-17-19(2)28-27(32)20-11-13-31(14-12-20)16-25-29-26(30-36-25)21-7-10-23(33-3)24(15-21)34-4/h5-10,15,19-20H,11-14,16-17H2,1-4H3,(H,28,32).

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 3.86, 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-[1-(4-methylphenoxy)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43927759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).