N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

C91H99N21O13 — CID 158039818

About N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 158039818) has the molecular formula C91H99N21O13 and a molecular weight of 1694.93 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 158039818
• Molecular Formula: C91H99N21O13
• Molecular Weight: 1694.93 g/mol
• Exact Mass: 1693.77
• IUPAC Name: N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCC(C)CC2)c1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(C)C(=O)C3)cc2N2CCC(C)(C)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCCCC2)[nH]1
• InChI: InChI=1S/C25H28N4O4.C23H25N5O3.C22H24N6O3.C21H22N6O3/c1-25(2)9-11-29(12-10-25)19-13-16(17-14-22(30)28(4)23(31)15-17)5-6-18(19)27-24(32)20-7-8-21(26-3)33-20;1-14-5-7-28(8-6-14)20-9-15(16-10-21(29)27-22(30)11-16)3-4-18(20)26-23(31)19-12-17(24-2)13-25-19;1-13-5-7-28(8-6-13)17-9-14(15-10-19(29)27-20(30)11-15)3-4-16(17)25-22(31)21-24-12-18(23-2)26-21;1-22-17-12-23-20(25-17)21(30)24-15-6-5-13(14-10-18(28)26-19(29)11-14)9-16(15)27-7-3-2-4-8-27/h5-8,13,17H,9-12,14-15H2,1-2,4H3,(H,27,32);3-4,9,12-14,16,25H,5-8,10-11H2,1H3,(H,26,31)(H,27,29,30);3-4,9,12-13,15H,5-8,10-11H2,1H3,(H,24,26)(H,25,31)(H,27,29,30);5-6,9,12,14H,2-4,7-8,10-11H2,(H,23,25)(H,24,30)(H,26,28,29)
• InChIKey: FIFCOGJSTTXYFB-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 408.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1694.93
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	19

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 N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 158039818) is N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is [C-]#[N+]c1c[nH]c(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCC(C)CC2)c1.[C-]#[N+]c1ccc(C(=O)Nc2ccc(C3CC(=O)N(C)C(=O)C3)cc2N2CCC(C)(C)CC2)o1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCC(C)CC2)[nH]1.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2N2CCCCC2)[nH]1.

What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is FIFCOGJSTTXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4.C23H25N5O3.C22H24N6O3.C21H22N6O3/c1-25(2)9-11-29(12-10-25)19-13-16(17-14-22(30)28(4)23(31)15-17)5-6-18(19)27-24(32)20-7-8-21(26-3)33-20;1-14-5-7-28(8-6-14)20-9-15(16-10-21(29)27-22(30)11-16)3-4-18(20)26-23(31)19-12-17(24-2)13-25-19;1-13-5-7-28(8-6-13)17-9-14(15-10-19(29)27-20(30)11-15)3-4-16(17)25-22(31)21-24-12-18(23-2)26-21;1-22-17-12-23-20(25-17)21(30)24-15-6-5-13(14-10-18(28)26-19(29)11-14)9-16(15)27-7-3-2-4-8-27/h5-8,13,17H,9-12,14-15H2,1-2,4H3,(H,27,32);3-4,9,12-14,16,25H,5-8,10-11H2,1H3,(H,26,31)(H,27,29,30);3-4,9,12-13,15H,5-8,10-11H2,1H3,(H,24,26)(H,25,31)(H,27,29,30);5-6,9,12,14H,2-4,7-8,10-11H2,(H,23,25)(H,24,30)(H,26,28,29).

What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1694.93 g/mol, XLogP of 13.84, 16 rotatable bonds, 10 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-4-isocyano-1H-pyrrole-2-carboxamide;N-[4-(2,6-dioxopiperidin-4-yl)-2-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).