2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C21H26N4O4 — CID 72866151

About 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72866151) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
• PubChem CID: 72866151
• Molecular Formula: C21H26N4O4
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
• SMILES: COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2
• InChI: InChI=1S/C21H26N4O4/c1-28-13-18(26)25-9-6-17-19(23-14-22-17)21(25)7-10-24(11-8-21)20(27)15-4-3-5-16(12-15)29-2/h3-5,12,14H,6-11,13H2,1-2H3,(H,22,23)
• InChIKey: OTLLXGITYYNDLZ-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 87.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?

The IUPAC name of 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72866151) is 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2.

What is the InChIKey of 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?

The InChIKey is OTLLXGITYYNDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-28-13-18(26)25-9-6-17-19(23-14-22-17)21(25)7-10-24(11-8-21)20(27)15-4-3-5-16(12-15)29-2/h3-5,12,14H,6-11,13H2,1-2H3,(H,22,23).

What are the key properties of 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?

2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 398.46 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72866151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).