1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

C24H24N4O3S — CID 3671162

About 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (PubChem CID 3671162) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

• Compound Name: 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
• PubChem CID: 3671162
• Molecular Formula: C24H24N4O3S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.16
• IUPAC Name: 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
• SMILES: O=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OC3Cc4ccccc4C32)CC1
• InChI: InChI=1S/C24H24N4O3S/c29-22(15-27-12-9-19(25-27)21-6-3-13-32-21)26-10-7-17(8-11-26)28-23-18-5-2-1-4-16(18)14-20(23)31-24(28)30/h1-6,9,12-13,17,20,23H,7-8,10-11,14-15H2
• InChIKey: SRIOCBGQCUKOLN-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?

The IUPAC name of 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (CID 3671162) is 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

What is the SMILES notation for 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?

The canonical SMILES for 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is O=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OC3Cc4ccccc4C32)CC1.

What is the InChIKey of 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?

The InChIKey is SRIOCBGQCUKOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-22(15-27-12-9-19(25-27)21-6-3-13-32-21)26-10-7-17(8-11-26)28-23-18-5-2-1-4-16(18)14-20(23)31-24(28)30/h1-6,9,12-13,17,20,23H,7-8,10-11,14-15H2.

What are the key properties of 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?

1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 448.55 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 3671162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).