5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide

C28H36N8O4 — CID 142327477

About 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide

5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide (PubChem CID 142327477) has the molecular formula C28H36N8O4 and a molecular weight of 548.65 g/mol. Its IUPAC name is 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide
• PubChem CID: 142327477
• Molecular Formula: C28H36N8O4
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.29
• IUPAC Name: 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide
• SMILES: [H]/N=c1\ccc(N2CCN(CC3CCN(c4ccc(C(N)=O)cc4)CC3)CC2)cn1C(=O)NC1CCC(=O)NC1=O
• InChI: InChI=1S/C28H36N8O4/c29-24-7-5-22(18-36(24)28(40)31-23-6-8-25(37)32-27(23)39)35-15-13-33(14-16-35)17-19-9-11-34(12-10-19)21-3-1-20(2-4-21)26(30)38/h1-5,7,18-19,23,29H,6,8-17H2,(H2,30,38)(H,31,40)(H,32,37,39)/b29-24+
• InChIKey: WSXHJLGJNVALPV-RMLRFSFXSA-N
• XLogP: 0.47
• TPSA: 156.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The IUPAC name of 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide (CID 142327477) is 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide.

What is the SMILES notation for 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The canonical SMILES for 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide is [H]/N=c1\ccc(N2CCN(CC3CCN(c4ccc(C(N)=O)cc4)CC3)CC2)cn1C(=O)NC1CCC(=O)NC1=O.

What is the InChIKey of 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The InChIKey is WSXHJLGJNVALPV-RMLRFSFXSA-N. The full InChI is InChI=1S/C28H36N8O4/c29-24-7-5-22(18-36(24)28(40)31-23-6-8-25(37)32-27(23)39)35-15-13-33(14-16-35)17-19-9-11-34(12-10-19)21-3-1-20(2-4-21)26(30)38/h1-5,7,18-19,23,29H,6,8-17H2,(H2,30,38)(H,31,40)(H,32,37,39)/b29-24+.

What are the key properties of 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide has a molecular weight of 548.65 g/mol, XLogP of 0.47, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[1-(4-carbamoylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide is sourced from PubChem (CID 142327477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).