1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

C16H28N4O — CID 97493559

IUPAC1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cncn1C)CC2
InChIInChI=1S/C16H28N4O/c1-18-14-17-12-15(18)13-19-8-5-16(6-9-19)4-3-7-20(16)10-11-21-2/h12,14H,3-11,13H2,1-2H3
InChIKeyNFLWABCKNFXVQP-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.50
Rot. Bonds5

About 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97493559) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97493559
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCOCCN1CCCC12CCN(Cc1cncn1C)CC2
InChIInChI=1S/C16H28N4O/c1-18-14-17-12-15(18)13-19-8-5-16(6-9-19)4-3-7-20(16)10-11-21-2/h12,14H,3-11,13H2,1-2H3
InChIKeyNFLWABCKNFXVQP-UHFFFAOYSA-N
XLogP1.50
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane 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 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97493559) is 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is COCCN1CCCC12CCN(Cc1cncn1C)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is NFLWABCKNFXVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18-14-17-12-15(18)13-19-8-5-16(6-9-19)4-3-7-20(16)10-11-21-2/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 292.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-[(3-methylimidazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97493559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).