1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C15H22N4O3 — CID 97316201

About 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 97316201) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 97316201
• Molecular Formula: C15H22N4O3
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.17
• IUPAC Name: 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: Cc1nc(C[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)no1
• InChI: InChI=1S/C15H22N4O3/c1-11-16-13(17-22-11)9-12-3-2-6-18(10-12)7-8-19-14(20)4-5-15(19)21/h12H,2-10H2,1H3/t12-/m0/s1
• InChIKey: BCAYOYMFQAFAIT-LBPRGKRZSA-N
• XLogP: 0.78
• TPSA: 79.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 97316201) is 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1nc(C[C@@H]2CCCN(CCN3C(=O)CCC3=O)C2)no1.

What is the InChIKey of 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is BCAYOYMFQAFAIT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-16-13(17-22-11)9-12-3-2-6-18(10-12)7-8-19-14(20)4-5-15(19)21/h12H,2-10H2,1H3/t12-/m0/s1.

What are the key properties of 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 97316201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).