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

C27H31N5O2 — CID 46385229

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

N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 46385229) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• PubChem CID: 46385229
• Molecular Formula: C27H31N5O2
• Molecular Weight: 457.58 g/mol
• Exact Mass: 457.25
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
• SMILES: Cc1ccc(C)c(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)c1
• InChI: InChI=1S/C27H31N5O2/c1-18-10-12-31(13-11-18)17-26-29-30-27(34-26)22-15-32(24-7-5-4-6-21(22)24)16-25(33)28-23-14-19(2)8-9-20(23)3/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,28,33)
• InChIKey: BKKMPTUTRSIHOZ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.58
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 46385229) is N-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2cc(-c3nnc(CN4CCC(C)CC4)o3)c3ccccc32)c1.

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

The InChIKey is BKKMPTUTRSIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-18-10-12-31(13-11-18)17-26-29-30-27(34-26)22-15-32(24-7-5-4-6-21(22)24)16-25(33)28-23-14-19(2)8-9-20(23)3/h4-9,14-15,18H,10-13,16-17H2,1-3H3,(H,28,33).

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

N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 457.58 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 46385229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).