3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione

C24H23ClN2O4 — CID 171845993

About 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171845993) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
• PubChem CID: 171845993
• Molecular Formula: C24H23ClN2O4
• Molecular Weight: 438.91 g/mol
• Exact Mass: 438.13
• IUPAC Name: 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
• SMILES: O=C1CCC(c2cccc(-c3ccc(N4C(=O)CCCC45COC5)cc3)c2Cl)C(=O)N1
• InChI: InChI=1S/C24H23ClN2O4/c25-22-17(3-1-4-18(22)19-10-11-20(28)26-23(19)30)15-6-8-16(9-7-15)27-21(29)5-2-12-24(27)13-31-14-24/h1,3-4,6-9,19H,2,5,10-14H2,(H,26,28,30)
• InChIKey: OIVARWLTKIGUCN-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.91
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione?

The IUPAC name of 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione (CID 171845993) is 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(N4C(=O)CCCC45COC5)cc3)c2Cl)C(=O)N1.

What is the InChIKey of 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione?

The InChIKey is OIVARWLTKIGUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c25-22-17(3-1-4-18(22)19-10-11-20(28)26-23(19)30)15-6-8-16(9-7-15)27-21(29)5-2-12-24(27)13-31-14-24/h1,3-4,6-9,19H,2,5,10-14H2,(H,26,28,30).

What are the key properties of 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione?

3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 438.91 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171845993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).