1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide

C28H30N4O5 — CID 118755143

About 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide

1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 118755143) has the molecular formula C28H30N4O5 and a molecular weight of 502.57 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 118755143
• Molecular Formula: C28H30N4O5
• Molecular Weight: 502.57 g/mol
• Exact Mass: 502.22
• IUPAC Name: 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide
• SMILES: COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N(C)C(C)c5ccon5)CC4)c3C2=O)cc1
• InChI: InChI=1S/C28H30N4O5/c1-18(23-13-16-37-29-23)30(2)26(33)20-11-14-31(15-12-20)24-6-4-5-22-25(24)28(35)32(27(22)34)17-19-7-9-21(36-3)10-8-19/h4-10,13,16,18,20H,11-12,14-15,17H2,1-3H3
• InChIKey: PARKLJMROIWHAD-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 96.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.57
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
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 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide (CID 118755143) is 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide is COc1ccc(CN2C(=O)c3cccc(N4CCC(C(=O)N(C)C(C)c5ccon5)CC4)c3C2=O)cc1.

What is the InChIKey of 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is PARKLJMROIWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5/c1-18(23-13-16-37-29-23)30(2)26(33)20-11-14-31(15-12-20)24-6-4-5-22-25(24)28(35)32(27(22)34)17-19-7-9-21(36-3)10-8-19/h4-10,13,16,18,20H,11-12,14-15,17H2,1-3H3.

What are the key properties of 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide?

1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 502.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 118755143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).