1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

C24H26N4O2S — CID 110232283

About 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide

1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110232283) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 110232283
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ncc(C(=O)N2CCCC(Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c(C)n1
• InChI: InChI=1S/C24H26N4O2S/c1-16-20(14-26-17(2)27-16)22(29)28-10-5-9-24(15-28,23(25)30)13-18-6-3-7-19(12-18)21-8-4-11-31-21/h3-4,6-8,11-12,14H,5,9-10,13,15H2,1-2H3,(H2,25,30)
• InChIKey: FUIKQZOJFCJDIK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 89.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 110232283) is 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is Cc1ncc(C(=O)N2CCCC(Cc3cccc(-c4cccs4)c3)(C(N)=O)C2)c(C)n1.

What is the InChIKey of 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is FUIKQZOJFCJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-20(14-26-17(2)27-16)22(29)28-10-5-9-24(15-28,23(25)30)13-18-6-3-7-19(12-18)21-8-4-11-31-21/h3-4,6-8,11-12,14H,5,9-10,13,15H2,1-2H3,(H2,25,30).

What are the key properties of 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?

1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dimethylpyrimidine-5-carbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110232283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).