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

C19H28N4O4 — CID 72880408

IUPAC1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
InChIInChI=1S/C19H28N4O4/c1-26-10-11-27-12-16(24)22-8-5-19(6-9-22)17-15(20-13-21-17)4-7-23(19)18(25)14-2-3-14/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyUNMILJWSIXPMKV-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.69
Rot. Bonds6

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

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone (PubChem CID 72880408) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
PubChem CID72880408
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1
InChIInChI=1S/C19H28N4O4/c1-26-10-11-27-12-16(24)22-8-5-19(6-9-22)17-15(20-13-21-17)4-7-23(19)18(25)14-2-3-14/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyUNMILJWSIXPMKV-UHFFFAOYSA-N
XLogP0.69
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
CID 72886657
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 72898397
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
(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-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72908795
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-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
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 72905014
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630
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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone (CID 72880408) is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone?
The InChIKey is UNMILJWSIXPMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-26-10-11-27-12-16(24)22-8-5-19(6-9-22)17-15(20-13-21-17)4-7-23(19)18(25)14-2-3-14/h13-14H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone?
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone has a molecular weight of 376.46 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 72880408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).