1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one

C22H30N4O3 — CID 164688115

IUPAC1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCOc1cc(CN2CCCC23CCCNC3=O)ccc1OCCn1ccnc1
InChIInChI=1S/C22H30N4O3/c1-2-28-20-15-18(5-6-19(20)29-14-13-25-12-10-23-17-25)16-26-11-4-8-22(26)7-3-9-24-21(22)27/h5-6,10,12,15,17H,2-4,7-9,11,13-14,16H2,1H3,(H,24,27)
InChIKeyJADBHYUFQASSOX-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.61
Rot. Bonds8

About 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one

1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 164688115) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID164688115
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCCOc1cc(CN2CCCC23CCCNC3=O)ccc1OCCn1ccnc1
InChIInChI=1S/C22H30N4O3/c1-2-28-20-15-18(5-6-19(20)29-14-13-25-12-10-23-17-25)16-26-11-4-8-22(26)7-3-9-24-21(22)27/h5-6,10,12,15,17H,2-4,7-9,11,13-14,16H2,1H3,(H,24,27)
InChIKeyJADBHYUFQASSOX-UHFFFAOYSA-N
XLogP2.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one 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

1-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one;formic acid
CID 171317469
1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638336
3-ethoxy-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 61492893
4-[(2-fluorophenoxy)methyl]-1-[[4-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methyl]azepan-4-ol
CID 132779942
4-[(3,4-dichlorophenoxy)methyl]-1-[[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]methyl]azepan-4-ol
CID 132780746
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162638924
1-[2-[2-ethoxy-4-(hydroxymethyl)phenoxy]ethyl]imidazolidin-2-one
CID 28561686
formic acid;1-[[4-(4-piperidin-1-ylbutoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317056
(4R)-1-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]-4-methoxy-4-[(4-methylphenoxy)methyl]azepane
CID 129459919
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[4-(2-imidazol-1-ylethoxy)-3-[[3-methoxy-5-(methylaminomethyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 167244413
1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162631165

Frequently Asked Questions

What is the IUPAC name of 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 164688115) is 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one is CCOc1cc(CN2CCCC23CCCNC3=O)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JADBHYUFQASSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-2-28-20-15-18(5-6-19(20)29-14-13-25-12-10-23-17-25)16-26-11-4-8-22(26)7-3-9-24-21(22)27/h5-6,10,12,15,17H,2-4,7-9,11,13-14,16H2,1H3,(H,24,27).
What are the key properties of 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 398.51 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 164688115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).