1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one

C21H27N5O2 — CID 72871913

About 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one

1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 72871913) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one
• PubChem CID: 72871913
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccnc1)CC2
• InChI: InChI=1S/C21H27N5O2/c1-2-18(27)26-11-7-17-20(24-15-23-17)21(26)8-12-25(13-9-21)19(28)6-5-16-4-3-10-22-14-16/h3-4,10,14-15H,2,5-9,11-13H2,1H3,(H,23,24)
• InChIKey: DEHZMYSTAFLNSJ-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one?

The IUPAC name of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one (CID 72871913) is 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one.

What is the SMILES notation for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one?

The canonical SMILES for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCc1cccnc1)CC2.

What is the InChIKey of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one?

The InChIKey is DEHZMYSTAFLNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-18(27)26-11-7-17-20(24-15-23-17)21(26)8-12-25(13-9-21)19(28)6-5-16-4-3-10-22-14-16/h3-4,10,14-15H,2,5-9,11-13H2,1H3,(H,23,24).

What are the key properties of 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one?

1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 381.48 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 72871913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).