1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C21H28N4O4 — CID 90617118

About 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 90617118) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 90617118
• Molecular Formula: C21H28N4O4
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.21
• IUPAC Name: 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: O=C(CN1C(=O)CCC1=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
• InChI: InChI=1S/C21H28N4O4/c26-19-1-2-20(27)25(19)15-21(28)24-11-5-16(6-12-24)23-13-7-18(8-14-23)29-17-3-9-22-10-4-17/h3-4,9-10,16,18H,1-2,5-8,11-15H2
• InChIKey: ULZDDTDHMSTBFX-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 83.05 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	1.06
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-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 90617118) is 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.

What is the InChIKey of 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is ULZDDTDHMSTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-19-1-2-20(27)25(19)15-21(28)24-11-5-16(6-12-24)23-13-7-18(8-14-23)29-17-3-9-22-10-4-17/h3-4,9-10,16,18H,1-2,5-8,11-15H2.

What are the key properties of 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 400.48 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90617118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).