[1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid

C26H34N4O6 — CID 156500592

About [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid

[1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid (PubChem CID 156500592) has the molecular formula C26H34N4O6 and a molecular weight of 498.58 g/mol. Its IUPAC name is [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid.

Molecular Properties

• Compound Name: [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid
• PubChem CID: 156500592
• Molecular Formula: C26H34N4O6
• Molecular Weight: 498.58 g/mol
• Exact Mass: 498.25
• IUPAC Name: [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid
• SMILES: O=C(O)NC1(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCCC1
• InChI: InChI=1S/C26H34N4O6/c31-22-9-8-21(23(32)27-22)30-14-17-13-19(6-7-20(17)24(30)33)36-15-18-5-1-4-12-29(18)16-26(28-25(34)35)10-2-3-11-26/h6-7,13,18,21,28H,1-5,8-12,14-16H2,(H,34,35)(H,27,31,32)/t18-,21?/m1/s1
• InChIKey: ZURHUEVGWHNGOG-ITUIMRKVSA-N
• XLogP: 2.26
• TPSA: 128.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
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-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid?

The IUPAC name of [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid (CID 156500592) is [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid.

What is the SMILES notation for [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid?

The canonical SMILES for [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid is O=C(O)NC1(CN2CCCC[C@@H]2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CCCC1.

What is the InChIKey of [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid?

The InChIKey is ZURHUEVGWHNGOG-ITUIMRKVSA-N. The full InChI is InChI=1S/C26H34N4O6/c31-22-9-8-21(23(32)27-22)30-14-17-13-19(6-7-20(17)24(30)33)36-15-18-5-1-4-12-29(18)16-26(28-25(34)35)10-2-3-11-26/h6-7,13,18,21,28H,1-5,8-12,14-16H2,(H,34,35)(H,27,31,32)/t18-,21?/m1/s1.

What are the key properties of [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid?

[1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid has a molecular weight of 498.58 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(2R)-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]piperidin-1-yl]methyl]cyclopentyl]carbamic acid is sourced from PubChem (CID 156500592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).