2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one

C24H33N3O4 — CID 170102306

About 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one

2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one (PubChem CID 170102306) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
• PubChem CID: 170102306
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one
• SMILES: CC1CCN([C@@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2O)C3=O)CC1
• InChI: InChI=1S/C24H33N3O4/c1-15-9-11-26(12-10-15)19-3-2-4-21(19)31-17-5-6-18-16(13-17)14-27(24(18)30)20-7-8-22(28)25-23(20)29/h5-6,13,15,19-21,23,29H,2-4,7-12,14H2,1H3,(H,25,28)/t19-,20?,21-,23?/m1/s1
• InChIKey: RHAKAMLGJODMSJ-SHEKIATPSA-N
• XLogP: 2.27
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one?

The IUPAC name of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one (CID 170102306) is 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one.

What is the SMILES notation for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one?

The canonical SMILES for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one is CC1CCN([C@@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2O)C3=O)CC1.

What is the InChIKey of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one?

The InChIKey is RHAKAMLGJODMSJ-SHEKIATPSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-15-9-11-26(12-10-15)19-3-2-4-21(19)31-17-5-6-18-16(13-17)14-27(24(18)30)20-7-8-22(28)25-23(20)29/h5-6,13,15,19-21,23,29H,2-4,7-12,14H2,1H3,(H,25,28)/t19-,20?,21-,23?/m1/s1.

What are the key properties of 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one?

2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one has a molecular weight of 427.55 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxy-6-oxopiperidin-3-yl)-5-[(1R,2R)-2-(4-methylpiperidin-1-yl)cyclopentyl]oxy-3H-isoindol-1-one is sourced from PubChem (CID 170102306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).