N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C26H29N5O3 — CID 46385209

About N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 46385209) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• PubChem CID: 46385209
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• SMILES: COc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1
• InChI: InChI=1S/C26H29N5O3/c1-18-11-13-30(14-12-18)17-25-28-29-26(34-25)22-15-31(23-6-4-3-5-21(22)23)16-24(32)27-19-7-9-20(33-2)10-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,32)
• InChIKey: YOFCXXHGRWMTTG-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 85.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 46385209) is N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is COc1ccc(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The InChIKey is YOFCXXHGRWMTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18-11-13-30(14-12-18)17-25-28-29-26(34-25)22-15-31(23-6-4-3-5-21(22)23)16-24(32)27-19-7-9-20(33-2)10-8-19/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,27,32).

What are the key properties of N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 46385209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).