5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C24H33N5O3S — CID 45169162

About 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45169162) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
• PubChem CID: 45169162
• Molecular Formula: C24H33N5O3S
• Molecular Weight: 471.63 g/mol
• Exact Mass: 471.23
• IUPAC Name: 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
• SMILES: CCCC1(C2CCN(C(=O)CCn3ccc(C)n3)CC2)NC(=O)N(CCc2cccs2)C1=O
• InChI: InChI=1S/C24H33N5O3S/c1-3-11-24(22(31)29(23(32)25-24)16-9-20-5-4-17-33-20)19-7-12-27(13-8-19)21(30)10-15-28-14-6-18(2)26-28/h4-6,14,17,19H,3,7-13,15-16H2,1-2H3,(H,25,32)
• InChIKey: JCSNOCIWXJVKAG-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.63
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 45169162) is 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)CCn3ccc(C)n3)CC2)NC(=O)N(CCc2cccs2)C1=O.

What is the InChIKey of 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

The InChIKey is JCSNOCIWXJVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-3-11-24(22(31)29(23(32)25-24)16-9-20-5-4-17-33-20)19-7-12-27(13-8-19)21(30)10-15-28-14-6-18(2)26-28/h4-6,14,17,19H,3,7-13,15-16H2,1-2H3,(H,25,32).

What are the key properties of 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?

5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 471.63 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45169162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).