N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

C89H111N25O13S2 — CID 158417677

About N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide

N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (PubChem CID 158417677) has the molecular formula C89H111N25O13S2 and a molecular weight of 1803.16 g/mol. Its IUPAC name is N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• PubChem CID: 158417677
• Molecular Formula: C89H111N25O13S2
• Molecular Weight: 1803.16 g/mol
• Exact Mass: 1801.82
• IUPAC Name: N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide
• SMILES: CCCC1CCN(c2cc(C3CN(C)S(=O)(=O)N(C)C3)ccc2NC(=O)c2ncc(O)[nH]2)CC1.[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.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2N2CCC(C)(C)CC2)[nH]1
• InChI: InChI=1S/C23H31N7O3S.C23H34N6O4S.C22H24N6O3.C21H22N6O3/c1-23(2)8-10-30(11-9-23)19-12-16(17-14-28(4)34(32,33)29(5)15-17)6-7-18(19)26-22(31)21-25-13-20(24-3)27-21;1-4-5-16-8-10-29(11-9-16)20-12-17(18-14-27(2)34(32,33)28(3)15-18)6-7-19(20)25-23(31)22-24-13-21(30)26-22;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/h6-7,12-13,17H,8-11,14-15H2,1-2,4-5H3,(H,25,27)(H,26,31);6-7,12-13,16,18,30H,4-5,8-11,14-15H2,1-3H3,(H,24,26)(H,25,31);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: HACGLEUASVYMNB-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 450.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1803.16
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	21

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-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide (CID 158417677) is N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is CCCC1CCN(c2cc(C3CN(C)S(=O)(=O)N(C)C3)ccc2NC(=O)c2ncc(O)[nH]2)CC1.[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.[C-]#[N+]c1cnc(C(=O)Nc2ccc(C3CN(C)S(=O)(=O)N(C)C3)cc2N2CCC(C)(C)CC2)[nH]1.

What is the InChIKey of N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

The InChIKey is HACGLEUASVYMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O3S.C23H34N6O4S.C22H24N6O3.C21H22N6O3/c1-23(2)8-10-30(11-9-23)19-12-16(17-14-28(4)34(32,33)29(5)15-17)6-7-18(19)26-22(31)21-25-13-20(24-3)27-21;1-4-5-16-8-10-29(11-9-16)20-12-17(18-14-27(2)34(32,33)28(3)15-18)6-7-19(20)25-23(31)22-24-13-21(30)26-22;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/h6-7,12-13,17H,8-11,14-15H2,1-2,4-5H3,(H,25,27)(H,26,31);6-7,12-13,16,18,30H,4-5,8-11,14-15H2,1-3H3,(H,24,26)(H,25,31);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-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide?

N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide has a molecular weight of 1803.16 g/mol, XLogP of 11.33, 18 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4,4-dimethylpiperidin-1-yl)phenyl]-5-isocyano-1H-imidazole-2-carboxamide;N-[4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)-2-(4-propylpiperidin-1-yl)phenyl]-5-hydroxy-1H-imidazole-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-piperidin-1-ylphenyl]-5-isocyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 158417677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).