1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile

C27H32N4O4 — CID 167309957

About 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile

1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile (PubChem CID 167309957) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile.

Molecular Properties

• Compound Name: 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile
• PubChem CID: 167309957
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile
• SMILES: N#CC1(C2CN([C@@H]3CCCC[C@H]3Oc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CCC1
• InChI: InChI=1S/C27H32N4O4/c28-16-27(10-3-11-27)18-14-30(15-18)21-4-1-2-5-23(21)35-19-6-7-20-17(12-19)13-31(26(20)34)22-8-9-24(32)29-25(22)33/h6-7,12,18,21-23H,1-5,8-11,13-15H2,(H,29,32,33)/t21-,22?,23-/m1/s1
• InChIKey: FFGHFCHCWGXTDC-OJVMETQDSA-N
• XLogP: 2.76
• TPSA: 102.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
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-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile?

The IUPAC name of 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile (CID 167309957) is 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile.

What is the SMILES notation for 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile?

The canonical SMILES for 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile is N#CC1(C2CN([C@@H]3CCCC[C@H]3Oc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CCC1.

What is the InChIKey of 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile?

The InChIKey is FFGHFCHCWGXTDC-OJVMETQDSA-N. The full InChI is InChI=1S/C27H32N4O4/c28-16-27(10-3-11-27)18-14-30(15-18)21-4-1-2-5-23(21)35-19-6-7-20-17(12-19)13-31(26(20)34)22-8-9-24(32)29-25(22)33/h6-7,12,18,21-23H,1-5,8-11,13-15H2,(H,29,32,33)/t21-,22?,23-/m1/s1.

What are the key properties of 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile?

1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile has a molecular weight of 476.58 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(1R,2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl]azetidin-3-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 167309957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).