5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C20H28N4OS — CID 72854874

About 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72854874) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

• Compound Name: 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
• PubChem CID: 72854874
• Molecular Formula: C20H28N4OS
• Molecular Weight: 372.54 g/mol
• Exact Mass: 372.20
• IUPAC Name: 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
• SMILES: CN1CCc2[nH]cnc2C12CCN(Cc1ccc(C3CCCO3)s1)CC2
• InChI: InChI=1S/C20H28N4OS/c1-23-9-6-16-19(22-14-21-16)20(23)7-10-24(11-8-20)13-15-4-5-18(26-15)17-3-2-12-25-17/h4-5,14,17H,2-3,6-13H2,1H3,(H,21,22)
• InChIKey: SSSYNTUCELHXFJ-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 44.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.54
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72854874) is 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

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

The canonical SMILES for 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CN1CCc2[nH]cnc2C12CCN(Cc1ccc(C3CCCO3)s1)CC2.

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

The InChIKey is SSSYNTUCELHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-23-9-6-16-19(22-14-21-16)20(23)7-10-24(11-8-20)13-15-4-5-18(26-15)17-3-2-12-25-17/h4-5,14,17H,2-3,6-13H2,1H3,(H,21,22).

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

5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 372.54 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72854874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).