N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide

C23H27Cl2N3O2S — CID 33337361

About N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 33337361) has the molecular formula C23H27Cl2N3O2S and a molecular weight of 480.46 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide
• PubChem CID: 33337361
• Molecular Formula: C23H27Cl2N3O2S
• Molecular Weight: 480.46 g/mol
• Exact Mass: 479.12
• IUPAC Name: N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide
• SMILES: C=CCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1
• InChI: InChI=1S/C23H27Cl2N3O2S/c1-5-10-28(20(29)15-8-11-27(12-9-15)21(30)23(2,3)4)22-26-19(14-31-22)16-6-7-17(24)18(25)13-16/h5-7,13-15H,1,8-12H2,2-4H3
• InChIKey: AYHMODJVYZFIHQ-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.46
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide?

The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide (CID 33337361) is N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide.

What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide?

The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCN(C(=O)C1CCN(C(=O)C(C)(C)C)CC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1.

What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide?

The InChIKey is AYHMODJVYZFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O2S/c1-5-10-28(20(29)15-8-11-27(12-9-15)21(30)23(2,3)4)22-26-19(14-31-22)16-6-7-17(24)18(25)13-16/h5-7,13-15H,1,8-12H2,2-4H3.

What are the key properties of N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide?

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 480.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-1-(2,2-dimethylpropanoyl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 33337361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).