3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione

C23H20ClF3N2O3 — CID 171846480

About 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846480) has the molecular formula C23H20ClF3N2O3 and a molecular weight of 464.87 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
• PubChem CID: 171846480
• Molecular Formula: C23H20ClF3N2O3
• Molecular Weight: 464.87 g/mol
• Exact Mass: 464.11
• IUPAC Name: 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
• SMILES: O=C1CCC(c2cccc(-c3ccc(N4C(=O)CCCC4C(F)(F)F)cc3)c2Cl)C(=O)N1
• InChI: InChI=1S/C23H20ClF3N2O3/c24-21-15(3-1-4-16(21)17-11-12-19(30)28-22(17)32)13-7-9-14(10-8-13)29-18(23(25,26)27)5-2-6-20(29)31/h1,3-4,7-10,17-18H,2,5-6,11-12H2,(H,28,30,32)
• InChIKey: GNBADQRYEKSRSG-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.87
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione?

The IUPAC name of 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione (CID 171846480) is 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(-c3ccc(N4C(=O)CCCC4C(F)(F)F)cc3)c2Cl)C(=O)N1.

What is the InChIKey of 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione?

The InChIKey is GNBADQRYEKSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O3/c24-21-15(3-1-4-16(21)17-11-12-19(30)28-22(17)32)13-7-9-14(10-8-13)29-18(23(25,26)27)5-2-6-20(29)31/h1,3-4,7-10,17-18H,2,5-6,11-12H2,(H,28,30,32).

What are the key properties of 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione?

3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 464.87 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).