N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide

C33H31N5O4S — CID 176640381

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide (PubChem CID 176640381) has the molecular formula C33H31N5O4S and a molecular weight of 593.71 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide
• PubChem CID: 176640381
• Molecular Formula: C33H31N5O4S
• Molecular Weight: 593.71 g/mol
• Exact Mass: 593.21
• IUPAC Name: N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide
• SMILES: O=C1CCC(N2Cc3cc(NC(=O)CC4CCN(c5cnc(-c6cccc7ccccc67)s5)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C33H31N5O4S/c39-28-11-10-27(31(41)36-28)38-19-22-17-23(8-9-25(22)33(38)42)35-29(40)16-20-12-14-37(15-13-20)30-18-34-32(43-30)26-7-3-5-21-4-1-2-6-24(21)26/h1-9,17-18,20,27H,10-16,19H2,(H,35,40)(H,36,39,41)
• InChIKey: WDSNPNFMDVULAS-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.71
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide?

The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide (CID 176640381) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide.

What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide?

The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide is O=C1CCC(N2Cc3cc(NC(=O)CC4CCN(c5cnc(-c6cccc7ccccc67)s5)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide?

The InChIKey is WDSNPNFMDVULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O4S/c39-28-11-10-27(31(41)36-28)38-19-22-17-23(8-9-25(22)33(38)42)35-29(40)16-20-12-14-37(15-13-20)30-18-34-32(43-30)26-7-3-5-21-4-1-2-6-24(21)26/h1-9,17-18,20,27H,10-16,19H2,(H,35,40)(H,36,39,41).

What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide?

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide has a molecular weight of 593.71 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-[1-(2-naphthalen-1-yl-1,3-thiazol-5-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 176640381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).