5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide

C24H32Cl3N3O2 — CID 58457617

About 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide

5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide (PubChem CID 58457617) has the molecular formula C24H32Cl3N3O2 and a molecular weight of 500.90 g/mol. Its IUPAC name is 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide
• PubChem CID: 58457617
• Molecular Formula: C24H32Cl3N3O2
• Molecular Weight: 500.90 g/mol
• Exact Mass: 499.16
• IUPAC Name: 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide
• SMILES: CC(C)[C@@H](NC(=O)C1CN=C(Cl)C(Cl)C1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1
• InChI: InChI=1S/C24H32Cl3N3O2/c1-14(2)20(29-22(31)16-11-19(26)21(27)28-12-16)23(32)30-10-9-18(24(3,4)13-30)15-5-7-17(25)8-6-15/h5-8,14,16,18-20H,9-13H2,1-4H3,(H,29,31)/t16?,18-,19?,20-/m1/s1
• InChIKey: ITEHCDXURUMMQG-RDVQEIBISA-N
• XLogP: 5.09
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.90
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide?

The IUPAC name of 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide (CID 58457617) is 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide.

What is the SMILES notation for 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide?

The canonical SMILES for 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide is CC(C)[C@@H](NC(=O)C1CN=C(Cl)C(Cl)C1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C(C)(C)C1.

What is the InChIKey of 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide?

The InChIKey is ITEHCDXURUMMQG-RDVQEIBISA-N. The full InChI is InChI=1S/C24H32Cl3N3O2/c1-14(2)20(29-22(31)16-11-19(26)21(27)28-12-16)23(32)30-10-9-18(24(3,4)13-30)15-5-7-17(25)8-6-15/h5-8,14,16,18-20H,9-13H2,1-4H3,(H,29,31)/t16?,18-,19?,20-/m1/s1.

What are the key properties of 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide?

5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide has a molecular weight of 500.90 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-N-[(2R)-1-[(4R)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,3,4,5-tetrahydropyridine-3-carboxamide is sourced from PubChem (CID 58457617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).