4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C27H31ClN4O4 — CID 166469282

About 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 166469282) has the molecular formula C27H31ClN4O4 and a molecular weight of 511.02 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• PubChem CID: 166469282
• Molecular Formula: C27H31ClN4O4
• Molecular Weight: 511.02 g/mol
• Exact Mass: 510.20
• IUPAC Name: 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• SMILES: Clc1cnccc1C1CNC1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C19H22N2O4.C8H9ClN2/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;9-8-5-10-2-1-7(8)6-3-11-4-6/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-2,5-6,11H,3-4H2
• InChIKey: LSGHAPILMBSNDW-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.02
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
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 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The IUPAC name of 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 166469282) is 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

What is the SMILES notation for 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The canonical SMILES for 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Clc1cnccc1C1CNC1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

The InChIKey is LSGHAPILMBSNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C8H9ClN2/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;9-8-5-10-2-1-7(8)6-3-11-4-6/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-2,5-6,11H,3-4H2.

What are the key properties of 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?

4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 511.02 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166469282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).