1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C21H27FN4O — CID 72847494

About 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72847494) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• PubChem CID: 72847494
• Molecular Formula: C21H27FN4O
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.22
• IUPAC Name: 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)c(C)c1)CC2
• InChI: InChI=1S/C21H27FN4O/c1-3-19(27)26-9-6-18-20(24-14-23-18)21(26)7-10-25(11-8-21)13-16-4-5-17(22)15(2)12-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,23,24)
• InChIKey: UFLIZNHCWBWWHJ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The IUPAC name of 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72847494) is 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

What is the SMILES notation for 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The canonical SMILES for 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(F)c(C)c1)CC2.

What is the InChIKey of 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The InChIKey is UFLIZNHCWBWWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-3-19(27)26-9-6-18-20(24-14-23-18)21(26)7-10-25(11-8-21)13-16-4-5-17(22)15(2)12-16/h4-5,12,14H,3,6-11,13H2,1-2H3,(H,23,24).

What are the key properties of 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 370.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[(4-fluoro-3-methylphenyl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72847494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).