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

C26H36N4O5 — CID 166469948

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

4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 166469948) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• PubChem CID: 166469948
• Molecular Formula: C26H36N4O5
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.27
• IUPAC Name: 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
• SMILES: C1CN(C2CNC2)CCO1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C19H22N2O4.C7H14N2O/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;1-3-10-4-2-9(1)7-5-8-6-7/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);7-8H,1-6H2
• InChIKey: GBQCBFVRTRUBKS-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 166469948) is 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

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

The canonical SMILES for 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is C1CN(C2CNC2)CCO1.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.

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

The InChIKey is GBQCBFVRTRUBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C7H14N2O/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;1-3-10-4-2-9(1)7-5-8-6-7/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);7-8H,1-6H2.

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

4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 484.60 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166469948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).