4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one

C17H27N3O2 — CID 136560226

IUPAC4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
SMILESCCOCCCC(=O)N1CCc2[nH]cnc2C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-2-22-12-6-7-15(21)20-11-8-14-16(19-13-18-14)17(20)9-4-3-5-10-17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGTAHXXKUFVNRLO-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.77
Rot. Bonds5

About 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one

4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one (PubChem CID 136560226) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one.

Molecular Properties

Compound Name4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
PubChem CID136560226
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
SMILESCCOCCCC(=O)N1CCc2[nH]cnc2C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-2-22-12-6-7-15(21)20-11-8-14-16(19-13-18-14)17(20)9-4-3-5-10-17/h13H,2-12H2,1H3,(H,18,19)
InChIKeyGTAHXXKUFVNRLO-UHFFFAOYSA-N
XLogP2.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-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

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The IUPAC name of 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one (CID 136560226) is 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one.
What is the SMILES notation for 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The canonical SMILES for 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one is CCOCCCC(=O)N1CCc2[nH]cnc2C12CCCCC2.
What is the InChIKey of 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The InChIKey is GTAHXXKUFVNRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-22-12-6-7-15(21)20-11-8-14-16(19-13-18-14)17(20)9-4-3-5-10-17/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one is sourced from PubChem (CID 136560226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).