1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride

C13H22Cl2N4O — CID 129009040

About 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride

1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride (PubChem CID 129009040) has the molecular formula C13H22Cl2N4O and a molecular weight of 321.25 g/mol. Its IUPAC name is 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride.

Molecular Properties

• Compound Name: 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride
• PubChem CID: 129009040
• Molecular Formula: C13H22Cl2N4O
• Molecular Weight: 321.25 g/mol
• Exact Mass: 320.12
• IUPAC Name: 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCNCC2.Cl.Cl
• InChI: InChI=1S/C13H20N4O.2ClH/c1-2-11(18)17-8-3-10-12(16-9-15-10)13(17)4-6-14-7-5-13;;/h9,14H,2-8H2,1H3,(H,15,16);2*1H
• InChIKey: NHDBJALNSCPMHD-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.25
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride?

The IUPAC name of 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride (CID 129009040) is 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride.

What is the SMILES notation for 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride?

The canonical SMILES for 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride is CCC(=O)N1CCc2[nH]cnc2C12CCNCC2.Cl.Cl.

What is the InChIKey of 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride?

The InChIKey is NHDBJALNSCPMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2ClH/c1-2-11(18)17-8-3-10-12(16-9-15-10)13(17)4-6-14-7-5-13;;/h9,14H,2-8H2,1H3,(H,15,16);2*1H.

What are the key properties of 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride?

1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 129009040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).