[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate

C20H23N3O6 — CID 175127633

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

[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate (PubChem CID 175127633) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate.

Molecular Properties

• Compound Name: [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
• PubChem CID: 175127633
• Molecular Formula: C20H23N3O6
• Molecular Weight: 401.42 g/mol
• Exact Mass: 401.16
• IUPAC Name: [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate
• SMILES: NC(=O)O[C@@H]1CCCC[C@@H]1Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C20H23N3O6/c21-20(27)29-16-4-2-1-3-15(16)28-12-5-6-13-11(9-12)10-23(19(13)26)14-7-8-17(24)22-18(14)25/h5-6,9,14-16H,1-4,7-8,10H2,(H2,21,27)(H,22,24,25)/t14?,15-,16+/m0/s1
• InChIKey: ASMAGHYMJQYRQB-MERJSTESSA-N
• XLogP: 1.23
• TPSA: 128.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.42
LogP ≤ 5	1.23
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 [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate?

The IUPAC name of [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate (CID 175127633) is [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate.

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

The canonical SMILES for [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate is NC(=O)O[C@@H]1CCCC[C@@H]1Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is ASMAGHYMJQYRQB-MERJSTESSA-N. The full InChI is InChI=1S/C20H23N3O6/c21-20(27)29-16-4-2-1-3-15(16)28-12-5-6-13-11(9-12)10-23(19(13)26)14-7-8-17(24)22-18(14)25/h5-6,9,14-16H,1-4,7-8,10H2,(H2,21,27)(H,22,24,25)/t14?,15-,16+/m0/s1.

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

[(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate has a molecular weight of 401.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]cyclohexyl] carbamate is sourced from PubChem (CID 175127633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).