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

C20H28N6O3 — CID 72856449

IUPAC2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C20H28N6O3/c1-3-16-21-7-11-25(16)12-17(27)24-9-5-20(6-10-24)19-15(22-14-23-19)4-8-26(20)18(28)13-29-2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,22,23)
InChIKeyBJYPCQCPQXPIFT-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.72
Rot. Bonds5

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

2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone (PubChem CID 72856449) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone
PubChem CID72856449
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Name2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone
SMILESCCc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C20H28N6O3/c1-3-16-21-7-11-25(16)12-17(27)24-9-5-20(6-10-24)19-15(22-14-23-19)4-8-26(20)18(28)13-29-2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,22,23)
InChIKeyBJYPCQCPQXPIFT-UHFFFAOYSA-N
XLogP0.72
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone (CID 72856449) is 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone is CCc1nccn1CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone?
The InChIKey is BJYPCQCPQXPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-3-16-21-7-11-25(16)12-17(27)24-9-5-20(6-10-24)19-15(22-14-23-19)4-8-26(20)18(28)13-29-2/h7,11,14H,3-6,8-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone?
2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone has a molecular weight of 400.48 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 72856449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).