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

C22H28N4O3 — CID 72838994

IUPAC1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)13-19(27)25-11-8-22(9-12-25)21-18(23-15-24-21)7-10-26(22)20(28)14-29-2/h3-6,15H,7-14H2,1-2H3,(H,23,24)
InChIKeyHNIMIRIANBIOEP-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.81
Rot. Bonds4

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

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone (PubChem CID 72838994) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
PubChem CID72838994
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1C)CC2
InChIInChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)13-19(27)25-11-8-22(9-12-25)21-18(23-15-24-21)7-10-26(22)20(28)14-29-2/h3-6,15H,7-14H2,1-2H3,(H,23,24)
InChIKeyHNIMIRIANBIOEP-UHFFFAOYSA-N
XLogP1.81
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
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
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-(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
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
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'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72866151
2-methoxy-1-[1'-(1-propan-2-ylpyrrole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72910353
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-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'-(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 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 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) is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)Cc1ccccc1C)CC2.
What is the InChIKey of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is HNIMIRIANBIOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16-5-3-4-6-17(16)13-19(27)25-11-8-22(9-12-25)21-18(23-15-24-21)7-10-26(22)20(28)14-29-2/h3-6,15H,7-14H2,1-2H3,(H,23,24).
What are the key properties of 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone?
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 396.49 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 72838994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).