6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide

C27H28N4O5 — CID 175968608

About 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide

6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 175968608) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide
• PubChem CID: 175968608
• Molecular Formula: C27H28N4O5
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.21
• IUPAC Name: 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide
• SMILES: COCC1c2cc(C3CC3)ccc2CN1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C27H28N4O5/c1-36-14-23-21-11-16(15-2-3-15)4-5-17(21)12-31(23)27(35)28-19-6-7-20-18(10-19)13-30(26(20)34)22-8-9-24(32)29-25(22)33/h4-7,10-11,15,22-23H,2-3,8-9,12-14H2,1H3,(H,28,35)(H,29,32,33)
• InChIKey: CCJRSZKVEHDWPO-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide (CID 175968608) is 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide is COCC1c2cc(C3CC3)ccc2CN1C(=O)Nc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide?

The InChIKey is CCJRSZKVEHDWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-36-14-23-21-11-16(15-2-3-15)4-5-17(21)12-31(23)27(35)28-19-6-7-20-18(10-19)13-30(26(20)34)22-8-9-24(32)29-25(22)33/h4-7,10-11,15,22-23H,2-3,8-9,12-14H2,1H3,(H,28,35)(H,29,32,33).

What are the key properties of 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide?

6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 488.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1-(methoxymethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 175968608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).