1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

C23H21Cl2N3O2S — CID 26291713

About 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 26291713) has the molecular formula C23H21Cl2N3O2S and a molecular weight of 474.41 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 26291713
• Molecular Formula: C23H21Cl2N3O2S
• Molecular Weight: 474.41 g/mol
• Exact Mass: 473.07
• IUPAC Name: 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
• SMILES: Cc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccc(Cl)cc1
• InChI: InChI=1S/C23H21Cl2N3O2S/c1-14-20(15-2-6-18(24)7-3-15)26-23(31-14)27-21(29)16-10-12-28(13-11-16)22(30)17-4-8-19(25)9-5-17/h2-9,16H,10-13H2,1H3,(H,26,27,29)
• InChIKey: UYEQCYKLDRBWLT-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.41
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 26291713) is 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccc(Cl)cc1.

What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is UYEQCYKLDRBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2S/c1-14-20(15-2-6-18(24)7-3-15)26-23(31-14)27-21(29)16-10-12-28(13-11-16)22(30)17-4-8-19(25)9-5-17/h2-9,16H,10-13H2,1H3,(H,26,27,29).

What are the key properties of 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?

1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 474.41 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26291713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).