1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one

C21H26N4O3 — CID 72862650

IUPAC1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(C)Oc1ccccc1)CC2
InChIInChI=1S/C21H26N4O3/c1-15(28-17-6-4-3-5-7-17)20(27)24-12-9-21(10-13-24)19-18(22-14-23-19)8-11-25(21)16(2)26/h3-7,14-15H,8-13H2,1-2H3,(H,22,23)
InChIKeyNFAITFTXEYYPHL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.10
Rot. Bonds3

About 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one

1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one (PubChem CID 72862650) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one
PubChem CID72862650
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(C)Oc1ccccc1)CC2
InChIInChI=1S/C21H26N4O3/c1-15(28-17-6-4-3-5-7-17)20(27)24-12-9-21(10-13-24)19-18(22-14-23-19)8-11-25(21)16(2)26/h3-7,14-15H,8-13H2,1-2H3,(H,22,23)
InChIKeyNFAITFTXEYYPHL-UHFFFAOYSA-N
XLogP2.10
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97282472
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
(2R)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methoxybutan-1-one
CID 97124769
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 97269525
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one
CID 72928731
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
2-(pyridin-4-ylmethoxy)-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclobutane]-5-ylpropan-1-one
CID 136565747
(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrazol-1-ylbutan-1-one
CID 97274219
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
CID 72880408
cyclopropyl-[1'-(2-phenylethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72906459

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one?
The IUPAC name of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one (CID 72862650) is 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one?
The canonical SMILES for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one is CC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)C(C)Oc1ccccc1)CC2.
What is the InChIKey of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one?
The InChIKey is NFAITFTXEYYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15(28-17-6-4-3-5-7-17)20(27)24-12-9-21(10-13-24)19-18(22-14-23-19)8-11-25(21)16(2)26/h3-7,14-15H,8-13H2,1-2H3,(H,22,23).
What are the key properties of 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one?
1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one has a molecular weight of 382.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 72862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).