methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate

C19H22N4O3 — CID 46257811

About methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate

methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate (PubChem CID 46257811) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
• PubChem CID: 46257811
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate
• SMILES: COC(=O)Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21
• InChI: InChI=1S/C19H22N4O3/c1-25-18(24)13-23-11-15(14-7-3-4-8-16(14)23)19-21-20-17(26-19)12-22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3
• InChIKey: VIIDXLZMNOJJFB-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 73.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate?

The IUPAC name of methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate (CID 46257811) is methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate.

What is the SMILES notation for methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate?

The canonical SMILES for methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate is COC(=O)Cn1cc(-c2nnc(CN3CCCCC3)o2)c2ccccc21.

What is the InChIKey of methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate?

The InChIKey is VIIDXLZMNOJJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-18(24)13-23-11-15(14-7-3-4-8-16(14)23)19-21-20-17(26-19)12-22-9-5-2-6-10-22/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3.

What are the key properties of methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate?

methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate has a molecular weight of 354.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[5-(piperidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetate is sourced from PubChem (CID 46257811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).