N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

C26H28ClN3O2S — CID 53103661

About N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide

N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 53103661) has the molecular formula C26H28ClN3O2S and a molecular weight of 482.05 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
• PubChem CID: 53103661
• Molecular Formula: C26H28ClN3O2S
• Molecular Weight: 482.05 g/mol
• Exact Mass: 481.16
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide
• SMILES: Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(C)C(=O)NCc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C26H28ClN3O2S/c1-17(24(31)28-16-19-8-10-22(27)11-9-19)20-12-14-30(15-13-20)26(32)23-18(2)29-25(33-23)21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3,(H,28,31)
• InChIKey: JRTHYKDSSDGSTF-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.05
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide (CID 53103661) is N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(C(C)C(=O)NCc2ccc(Cl)cc2)CC1.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?

The InChIKey is JRTHYKDSSDGSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2S/c1-17(24(31)28-16-19-8-10-22(27)11-9-19)20-12-14-30(15-13-20)26(32)23-18(2)29-25(33-23)21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3,(H,28,31).

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide?

N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 482.05 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 53103661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).