4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one

C25H27N3O2S — CID 110250410

About 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one

4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one (PubChem CID 110250410) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

• Compound Name: 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
• PubChem CID: 110250410
• Molecular Formula: C25H27N3O2S
• Molecular Weight: 433.58 g/mol
• Exact Mass: 433.18
• IUPAC Name: 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one
• SMILES: CCCN1CCN(C(=O)c2ccc(C)s2)C(Cc2ccccc2-c2ccncc2)C1=O
• InChI: InChI=1S/C25H27N3O2S/c1-3-14-27-15-16-28(25(30)23-9-8-18(2)31-23)22(24(27)29)17-20-6-4-5-7-21(20)19-10-12-26-13-11-19/h4-13,22H,3,14-17H2,1-2H3
• InChIKey: RGMYGJVRQVDQKU-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 53.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.58
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?

The IUPAC name of 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one (CID 110250410) is 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one.

What is the SMILES notation for 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?

The canonical SMILES for 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one is CCCN1CCN(C(=O)c2ccc(C)s2)C(Cc2ccccc2-c2ccncc2)C1=O.

What is the InChIKey of 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?

The InChIKey is RGMYGJVRQVDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-3-14-27-15-16-28(25(30)23-9-8-18(2)31-23)22(24(27)29)17-20-6-4-5-7-21(20)19-10-12-26-13-11-19/h4-13,22H,3,14-17H2,1-2H3.

What are the key properties of 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one?

4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one has a molecular weight of 433.58 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methylthiophene-2-carbonyl)-1-propyl-3-[(2-pyridin-4-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 110250410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).