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

C27H34N4O5 — CID 43931328

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43931328) 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-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 43931328
• 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-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• SMILES: COc1ccc(-c2noc(CN3CCCC(C(=O)NCc4cccc(OC(C)C)c4)C3)n2)cc1OC
• InChI: InChI=1S/C27H34N4O5/c1-18(2)35-22-9-5-7-19(13-22)15-28-27(32)21-8-6-12-31(16-21)17-25-29-26(30-36-25)20-10-11-23(33-3)24(14-20)34-4/h5,7,9-11,13-14,18,21H,6,8,12,15-17H2,1-4H3,(H,28,32)
• InChIKey: XPCYUQFDSXRIOJ-UHFFFAOYSA-N
• XLogP: 4.07
• 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	4.07
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-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 43931328) is 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCCC(C(=O)NCc4cccc(OC(C)C)c4)C3)n2)cc1OC.

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

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

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

1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 494.59 g/mol, XLogP of 4.07, 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-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43931328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).