1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C20H26N2O2S — CID 157012169

IUPAC1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2Cc2csc3ccccc23)C1=O
InChIInChI=1S/C20H26N2O2S/c1-24-13-12-21-10-4-8-20(19(21)23)9-5-11-22(20)14-16-15-25-18-7-3-2-6-17(16)18/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyMYGDEFDMZXJDEZ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.50
Rot. Bonds5

About 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 157012169) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID157012169
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2Cc2csc3ccccc23)C1=O
InChIInChI=1S/C20H26N2O2S/c1-24-13-12-21-10-4-8-20(19(21)23)9-5-11-22(20)14-16-15-25-18-7-3-2-6-17(16)18/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyMYGDEFDMZXJDEZ-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-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

9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626916
9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635884
9-(2-methoxyethyl)-1-[(E)-3-phenylprop-2-enoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626207
9-(2-methoxyethyl)-1-(4-methoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635414
1-(1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepan-2-one
CID 63736749
4-(1-benzothiophen-3-ylmethyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 167808047
1-[(4-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162633638
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
1-[(4-chloro-2-fluorophenyl)methyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625681
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
4-(1-benzothiophen-3-ylmethyl)morpholine-3,5-dione
CID 2732786

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 157012169) is 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2Cc2csc3ccccc23)C1=O.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is MYGDEFDMZXJDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-24-13-12-21-10-4-8-20(19(21)23)9-5-11-22(20)14-16-15-25-18-7-3-2-6-17(16)18/h2-3,6-7,15H,4-5,8-14H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 358.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 157012169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).