[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone

C17H28N4O2 — CID 97408794

IUPAC[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
SMILESCOCCN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-19-14-18-12-15(19)16(22)21-7-3-4-17(13-21)5-8-20(9-6-17)10-11-23-2/h12,14H,3-11,13H2,1-2H3
InChIKeyNZSIEPHGBJBWBH-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.38
Rot. Bonds4

About [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone

[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 97408794) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID97408794
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone
SMILESCOCCN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-19-14-18-12-15(19)16(22)21-7-3-4-17(13-21)5-8-20(9-6-17)10-11-23-2/h12,14H,3-11,13H2,1-2H3
InChIKeyNZSIEPHGBJBWBH-UHFFFAOYSA-N
XLogP1.38
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone 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

[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155835644
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
[8-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97385388
ethane;9-(2-methoxyethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845221
(3-amino-3-ethylazetidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512261
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
isoquinolin-1-yl-[9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 56892672
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 107160135
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
(3-methylimidazol-4-yl)-[2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 118791140

Frequently Asked Questions

What is the IUPAC name of [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone (CID 97408794) is [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone is COCCN1CCC2(CCCN(C(=O)c3cncn3C)C2)CC1.
What is the InChIKey of [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is NZSIEPHGBJBWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-14-18-12-15(19)16(22)21-7-3-4-17(13-21)5-8-20(9-6-17)10-11-23-2/h12,14H,3-11,13H2,1-2H3.
What are the key properties of [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone?
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 97408794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).