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

C17H24N6O — CID 72863851

IUPAC1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C17H24N6O/c1-13(24)23-7-3-14-16(20-12-19-14)17(23)4-8-22(9-5-17)11-15-18-6-10-21(15)2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,19,20)
InChIKeyHOJSDXIQSSPPQC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.04
Rot. Bonds2

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

1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72863851) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72863851
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C17H24N6O/c1-13(24)23-7-3-14-16(20-12-19-14)17(23)4-8-22(9-5-17)11-15-18-6-10-21(15)2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,19,20)
InChIKeyHOJSDXIQSSPPQC-UHFFFAOYSA-N
XLogP1.04
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-{3,5,6,7-Tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl}ethan-1-one
CID 12397504
5-acetyl-4-{1-[2-(1H-pyrrol-1-yl)ethyl]-1,2,5,6-tetrahydropyridin-3-yl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 50962295
1'-[(2-methyl-1H-imidazol-1-yl)acetyl]-5-propyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72856499
5-Acetyl-1'-(tetrahydrofuran-3-ylmethyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72915722
5-ethyl-1'-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72916875
5-propyl-1'-[3-(1H-pyrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72927574
5-acetyl-1'-[3-(1H-pyrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72928513
5-isobutyl-1'-[(1-methyl-1H-imidazol-5-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72930282
3-[2-(5-methyl-1,5,6,7-tetrahydro-1'H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 70731074
5-acetyl-1'-[3-(5-methyl-1H-tetrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840210
5-acetyl-1'-[(5-methyl-1H-pyrazol-1-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72849728
5-isobutyl-1'-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854296

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72863851) is 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1nccn1C)CC2.
What is the InChIKey of 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is HOJSDXIQSSPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(24)23-7-3-14-16(20-12-19-14)17(23)4-8-22(9-5-17)11-15-18-6-10-21(15)2/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,19,20).
What are the key properties of 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-[(1-methylimidazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72863851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).