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

C17H24N8O3 — CID 72905521

IUPAC1-[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
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cnnn1)CC2
InChIInChI=1S/C17H24N8O3/c1-28-10-15(27)25-7-2-13-16(19-11-18-13)17(25)4-8-23(9-5-17)14(26)3-6-24-12-20-21-22-24/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyPENHPHIUPRNHNU-UHFFFAOYSA-N
MW388.43 g/mol
LogP-0.66
Rot. Bonds5

About 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

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 (PubChem CID 72905521) has the molecular formula C17H24N8O3 and a molecular weight of 388.43 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]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[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
PubChem CID72905521
Molecular FormulaC17H24N8O3
Molecular Weight388.43 g/mol
Exact Mass388.20
IUPAC Name1-[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
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cnnn1)CC2
InChIInChI=1S/C17H24N8O3/c1-28-10-15(27)25-7-2-13-16(19-11-18-13)17(25)4-8-23(9-5-17)14(26)3-6-24-12-20-21-22-24/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyPENHPHIUPRNHNU-UHFFFAOYSA-N
XLogP-0.66
TPSA122.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 72902971
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-pyrrolidin-1-ylethane-1,2-dione
CID 72872199
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'-[(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
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
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
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'-(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-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
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

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]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 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) is 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.
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]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 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 is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)CCn1cnnn1)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]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is PENHPHIUPRNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O3/c1-28-10-15(27)25-7-2-13-16(19-11-18-13)17(25)4-8-23(9-5-17)14(26)3-6-24-12-20-21-22-24/h11-12H,2-10H2,1H3,(H,18,19).
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]-3-(tetrazol-1-yl)propan-1-one?
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 has a molecular weight of 388.43 g/mol, XLogP of -0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 72905521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).