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

C18H27N5O4 — CID 97274319

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

1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione (PubChem CID 97274319) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione.

Molecular Properties

• Compound Name: 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione
• PubChem CID: 97274319
• Molecular Formula: C18H27N5O4
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.21
• IUPAC Name: 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione
• SMILES: CCN1CCN(CC(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)C(=O)C1=O
• InChI: InChI=1S/C18H27N5O4/c1-4-21-8-9-23(18(26)17(21)25)11-14(24)22-7-5-6-13(10-22)16-19-15(12(2)3)20-27-16/h12-13H,4-11H2,1-3H3/t13-/m1/s1
• InChIKey: UTRFIZSNBNVEKD-CYBMUJFWSA-N
• XLogP: 0.59
• TPSA: 99.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione (CID 97274319) is 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione.

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

The canonical SMILES for 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione is CCN1CCN(CC(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)C(=O)C1=O.

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

The InChIKey is UTRFIZSNBNVEKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-4-21-8-9-23(18(26)17(21)25)11-14(24)22-7-5-6-13(10-22)16-19-15(12(2)3)20-27-16/h12-13H,4-11H2,1-3H3/t13-/m1/s1.

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

1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione has a molecular weight of 377.45 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-[2-oxo-2-[(3R)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]piperazine-2,3-dione is sourced from PubChem (CID 97274319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).