[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone

C23H32N6O2 — CID 95101116

About [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone

[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 95101116) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
• PubChem CID: 95101116
• Molecular Formula: C23H32N6O2
• Molecular Weight: 424.55 g/mol
• Exact Mass: 424.26
• IUPAC Name: [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone
• SMILES: CCN1CCN(C(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)CC1
• InChI: InChI=1S/C23H32N6O2/c1-2-27-12-14-28(15-13-27)23(30)18-8-5-11-29(16-18)21-19(9-4-10-24-21)20-25-22(31-26-20)17-6-3-7-17/h4,9-10,17-18H,2-3,5-8,11-16H2,1H3/t18-/m0/s1
• InChIKey: PLCQZMGIQQTSOO-SFHVURJKSA-N
• XLogP: 2.78
• TPSA: 78.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.55
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 95101116) is [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone.

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

The canonical SMILES for [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)[C@H]2CCCN(c3ncccc3-c3noc(C4CCC4)n3)C2)CC1.

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

The InChIKey is PLCQZMGIQQTSOO-SFHVURJKSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-2-27-12-14-28(15-13-27)23(30)18-8-5-11-29(16-18)21-19(9-4-10-24-21)20-25-22(31-26-20)17-6-3-7-17/h4,9-10,17-18H,2-3,5-8,11-16H2,1H3/t18-/m0/s1.

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

[(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 424.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 95101116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).