azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone

C21H29N5O2 — CID 53166187

About azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone

azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone (PubChem CID 53166187) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
• PubChem CID: 53166187
• Molecular Formula: C21H29N5O2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone
• SMILES: CCc1nc(-c2cccnc2N2CCCC(C(=O)N3CCCCCC3)C2)no1
• InChI: InChI=1S/C21H29N5O2/c1-2-18-23-19(24-28-18)17-10-7-11-22-20(17)26-14-8-9-16(15-26)21(27)25-12-5-3-4-6-13-25/h7,10-11,16H,2-6,8-9,12-15H2,1H3
• InChIKey: GMTKKBMKNAEXHC-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 75.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone?

The IUPAC name of azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone (CID 53166187) is azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone.

What is the SMILES notation for azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone?

The canonical SMILES for azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone is CCc1nc(-c2cccnc2N2CCCC(C(=O)N3CCCCCC3)C2)no1.

What is the InChIKey of azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone?

The InChIKey is GMTKKBMKNAEXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-18-23-19(24-28-18)17-10-7-11-22-20(17)26-14-8-9-16(15-26)21(27)25-12-5-3-4-6-13-25/h7,10-11,16H,2-6,8-9,12-15H2,1H3.

What are the key properties of azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone?

azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone has a molecular weight of 383.50 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-[1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]methanone is sourced from PubChem (CID 53166187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).