8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

C18H25N3O3 — CID 98896665

IUPAC8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2
InChIInChI=1S/C18H25N3O3/c1-2-24-13-17(23)20-8-5-18(6-9-20)10-16(22)21(14-18)12-15-4-3-7-19-11-15/h3-4,7,11H,2,5-6,8-10,12-14H2,1H3
InChIKeyHTEJJNOBZOWHEJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.46
Rot. Bonds5

About 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 98896665) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID98896665
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2
InChIInChI=1S/C18H25N3O3/c1-2-24-13-17(23)20-8-5-18(6-9-20)10-16(22)21(14-18)12-15-4-3-7-19-11-15/h3-4,7,11H,2,5-6,8-10,12-14H2,1H3
InChIKeyHTEJJNOBZOWHEJ-UHFFFAOYSA-N
XLogP1.46
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-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

8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
8-(1-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896945
2-(pyridin-3-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895883
9-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72937261
1-[7a-phenyl-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-2-ethoxyethanone
CID 134071620
9-(2-propoxypropanoyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872755
2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
9-[(2S)-2-amino-3-hydroxypropanoyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72879649
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one (CID 98896665) is 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is CCOCC(=O)N1CCC2(CC1)CC(=O)N(Cc1cccnc1)C2.
What is the InChIKey of 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HTEJJNOBZOWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-24-13-17(23)20-8-5-18(6-9-20)10-16(22)21(14-18)12-15-4-3-7-19-11-15/h3-4,7,11H,2,5-6,8-10,12-14H2,1H3.
What are the key properties of 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 331.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 98896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).