4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide

C27H37N5O5 — CID 166469598

About 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 166469598) has the molecular formula C27H37N5O5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 166469598
• Molecular Formula: C27H37N5O5
• Molecular Weight: 511.62 g/mol
• Exact Mass: 511.28
• IUPAC Name: 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCC(CN2CCC(O)(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1
• InChI: InChI=1S/C27H37N5O5/c1-29(2)26(36)31-11-7-18(8-12-31)16-30-13-9-27(37,10-14-30)20-3-4-21-19(15-20)17-32(25(21)35)22-5-6-23(33)28-24(22)34/h3-4,15,18,22,37H,5-14,16-17H2,1-2H3,(H,28,33,34)
• InChIKey: MFZXFFIBYZJHJA-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.62
LogP ≤ 5	1.12
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 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 166469598) is 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(CN2CCC(O)(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)CC2)CC1.

What is the InChIKey of 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is MFZXFFIBYZJHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O5/c1-29(2)26(36)31-11-7-18(8-12-31)16-30-13-9-27(37,10-14-30)20-3-4-21-19(15-20)17-32(25(21)35)22-5-6-23(33)28-24(22)34/h3-4,15,18,22,37H,5-14,16-17H2,1-2H3,(H,28,33,34).

What are the key properties of 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide?

4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 511.62 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 166469598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).