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

C20H32N4O4 — CID 72890968

IUPAC6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one
SMILESCOCCCCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C20H32N4O4/c1-27-13-5-3-4-6-17(25)23-11-8-20(9-12-23)19-16(21-15-22-19)7-10-24(20)18(26)14-28-2/h15H,3-14H2,1-2H3,(H,21,22)
InChIKeyZNXZZIBIRXDRAP-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.47
Rot. Bonds8

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

6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one (PubChem CID 72890968) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one.

Molecular Properties

Compound Name6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one
PubChem CID72890968
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one
SMILESCOCCCCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC
InChIInChI=1S/C20H32N4O4/c1-27-13-5-3-4-6-17(25)23-11-8-20(9-12-23)19-16(21-15-22-19)7-10-24(20)18(26)14-28-2/h15H,3-14H2,1-2H3,(H,21,22)
InChIKeyZNXZZIBIRXDRAP-UHFFFAOYSA-N
XLogP1.47
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72872199
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(tetrazol-1-yl)propan-1-one
CID 72905521
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 72902971
2-(4,5-dimethylimidazol-1-yl)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]ethanone
CID 72848850
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
CID 72838994
1-[1'-(4-fluorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72839133
2-methoxy-1-[1'-(oxane-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72908365
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97270200
2-methoxy-1-[1'-[(2S)-1-methylpiperidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97286396
2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72922691
2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72863438

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one?
The IUPAC name of 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one (CID 72890968) is 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one.
What is the SMILES notation for 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one?
The canonical SMILES for 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one is COCCCCCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)COC.
What is the InChIKey of 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one?
The InChIKey is ZNXZZIBIRXDRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-27-13-5-3-4-6-17(25)23-11-8-20(9-12-23)19-16(21-15-22-19)7-10-24(20)18(26)14-28-2/h15H,3-14H2,1-2H3,(H,21,22).
What are the key properties of 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one?
6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one has a molecular weight of 392.50 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]hexan-1-one is sourced from PubChem (CID 72890968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).