1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C16H23N5O4 — CID 125154868

About 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 125154868) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• PubChem CID: 125154868
• Molecular Formula: C16H23N5O4
• Molecular Weight: 349.39 g/mol
• Exact Mass: 349.18
• IUPAC Name: 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
• SMILES: CC(C)c1noc([C@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)n1
• InChI: InChI=1S/C16H23N5O4/c1-10(2)14-17-15(25-18-14)11-6-4-5-7-20(11)13(23)9-21-12(22)8-19(3)16(21)24/h10-11H,4-9H2,1-3H3/t11-/m1/s1
• InChIKey: AFQHBYJSYNSSSR-LLVKDONJSA-N
• XLogP: 1.14
• TPSA: 99.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.39
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 125154868) is 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is CC(C)c1noc([C@H]2CCCCN2C(=O)CN2C(=O)CN(C)C2=O)n1.

What is the InChIKey of 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?

The InChIKey is AFQHBYJSYNSSSR-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-10(2)14-17-15(25-18-14)11-6-4-5-7-20(11)13(23)9-21-12(22)8-19(3)16(21)24/h10-11H,4-9H2,1-3H3/t11-/m1/s1.

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

1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 125154868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).