3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C22H29N5O3 — CID 110264319

About 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 110264319) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 110264319
• Molecular Formula: C22H29N5O3
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.23
• IUPAC Name: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: CCc1noc(CCC(=O)N2CCCC(c3ccc(C(=O)N4CCCC4)cn3)C2)n1
• InChI: InChI=1S/C22H29N5O3/c1-2-19-24-20(30-25-19)9-10-21(28)27-13-5-6-17(15-27)18-8-7-16(14-23-18)22(29)26-11-3-4-12-26/h7-8,14,17H,2-6,9-13,15H2,1H3
• InChIKey: FKJATNXBLNYWDN-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 92.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 110264319) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is CCc1noc(CCC(=O)N2CCCC(c3ccc(C(=O)N4CCCC4)cn3)C2)n1.

What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is FKJATNXBLNYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-2-19-24-20(30-25-19)9-10-21(28)27-13-5-6-17(15-27)18-8-7-16(14-23-18)22(29)26-11-3-4-12-26/h7-8,14,17H,2-6,9-13,15H2,1H3.

What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 411.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110264319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).