1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

C20H26N4O3S — CID 72905682

About 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone

1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (PubChem CID 72905682) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.

Molecular Properties

• Compound Name: 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
• PubChem CID: 72905682
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)s1
• InChI: InChI=1S/C20H26N4O3S/c1-3-14-4-5-16(28-14)19(26)23-10-7-20(8-11-23)18-15(21-13-22-18)6-9-24(20)17(25)12-27-2/h4-5,13H,3,6-12H2,1-2H3,(H,21,22)
• InChIKey: PLOWLZUCMWTIGJ-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?

The IUPAC name of 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone (CID 72905682) is 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone.

What is the SMILES notation for 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?

The canonical SMILES for 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is CCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)COC)s1.

What is the InChIKey of 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?

The InChIKey is PLOWLZUCMWTIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-14-4-5-16(28-14)19(26)23-10-7-20(8-11-23)18-15(21-13-22-18)6-9-24(20)17(25)12-27-2/h4-5,13H,3,6-12H2,1-2H3,(H,21,22).

What are the key properties of 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone?

1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone has a molecular weight of 402.52 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone is sourced from PubChem (CID 72905682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).