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

C21H33N5O3 — CID 72929453

IUPAC1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCC1C)CC2
InChIInChI=1S/C21H33N5O3/c1-16-5-3-4-9-25(16)13-18(27)24-11-7-21(8-12-24)20-17(22-15-23-20)6-10-26(21)19(28)14-29-2/h15-16H,3-14H2,1-2H3,(H,22,23)
InChIKeyVPZPZHARTXQHIG-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.13
Rot. Bonds4

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

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 72929453) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 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-methylpiperidin-1-yl)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-methylpiperidin-1-yl)ethanone
PubChem CID72929453
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylpiperidin-1-yl)ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCC1C)CC2
InChIInChI=1S/C21H33N5O3/c1-16-5-3-4-9-25(16)13-18(27)24-11-7-21(8-12-24)20-17(22-15-23-20)6-10-26(21)19(28)14-29-2/h15-16H,3-14H2,1-2H3,(H,22,23)
InChIKeyVPZPZHARTXQHIG-UHFFFAOYSA-N
XLogP1.13
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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
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-(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
2-methoxy-1-[1'-[(3R)-pyrrolidine-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97119139
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-(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
1-[1'-[(2S)-1-acetylpyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72940050
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-[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'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
1-[1'-(4-fluorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72839133

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-methylpiperidin-1-yl)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-methylpiperidin-1-yl)ethanone (CID 72929453) is 1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylpiperidin-1-yl)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-methylpiperidin-1-yl)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-methylpiperidin-1-yl)ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CN1CCCCC1C)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-methylpiperidin-1-yl)ethanone?
The InChIKey is VPZPZHARTXQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-16-5-3-4-9-25(16)13-18(27)24-11-7-21(8-12-24)20-17(22-15-23-20)6-10-26(21)19(28)14-29-2/h15-16H,3-14H2,1-2H3,(H,22,23).
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-methylpiperidin-1-yl)ethanone?
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 403.53 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 72929453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).