5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide

C51H54ClN7O8 — CID 162018096

About 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide

5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide (PubChem CID 162018096) has the molecular formula C51H54ClN7O8 and a molecular weight of 928.49 g/mol. Its IUPAC name is 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide
• PubChem CID: 162018096
• Molecular Formula: C51H54ClN7O8
• Molecular Weight: 928.49 g/mol
• Exact Mass: 927.37
• IUPAC Name: 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide
• SMILES: O=C1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCC4(CCC4)CC3)c2)CC(=O)N1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(CCO)C(=O)C3)cc2C2=CCC(C)(C)CC2)o1
• InChI: InChI=1S/C27H29N3O5.C24H25ClN4O3/c1-27(2)10-8-17(9-11-27)20-14-18(19-15-24(32)30(12-13-31)25(33)16-19)4-5-21(20)29-26(34)22-6-7-23(28-3)35-22;25-19-13-26-22(28-19)23(32)27-18-3-2-15(16-11-20(30)29-21(31)12-16)10-17(18)14-4-8-24(9-5-14)6-1-7-24/h4-8,14,19,31H,9-13,15-16H2,1-2H3,(H,29,34);2-4,10,13,16H,1,5-9,11-12H2,(H,26,28)(H,27,32)(H,29,30,31)
• InChIKey: YUJRLHVVTGSYJJ-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 208.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.49
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide (CID 162018096) is 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide is O=C1CC(c2ccc(NC(=O)c3ncc(Cl)[nH]3)c(C3=CCC4(CCC4)CC3)c2)CC(=O)N1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(CCO)C(=O)C3)cc2C2=CCC(C)(C)CC2)o1.

What is the InChIKey of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide?

The InChIKey is YUJRLHVVTGSYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5.C24H25ClN4O3/c1-27(2)10-8-17(9-11-27)20-14-18(19-15-24(32)30(12-13-31)25(33)16-19)4-5-21(20)29-26(34)22-6-7-23(28-3)35-22;25-19-13-26-22(28-19)23(32)27-18-3-2-15(16-11-20(30)29-21(31)12-16)10-17(18)14-4-8-24(9-5-14)6-1-7-24/h4-8,14,19,31H,9-13,15-16H2,1-2H3,(H,29,34);2-4,10,13,16H,1,5-9,11-12H2,(H,26,28)(H,27,32)(H,29,30,31).

What are the key properties of 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide?

5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide has a molecular weight of 928.49 g/mol, XLogP of 9.47, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(2,6-dioxopiperidin-4-yl)-2-spiro[3.5]non-7-en-7-ylphenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-4-yl]phenyl]-5-isocyanofuran-2-carboxamide is sourced from PubChem (CID 162018096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).