2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C21H25N5O3 — CID 25403784

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H25N5O3/c27-18(15-26-19(28)21(24-20(26)29)9-2-1-3-10-21)22-13-16-5-7-17(8-6-16)14-25-12-4-11-23-25/h4-8,11-12H,1-3,9-10,13-15H2,(H,22,27)(H,24,29)
InChIKeyRSETUEVCUAHRDY-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.80
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 25403784) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID25403784
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H25N5O3/c27-18(15-26-19(28)21(24-20(26)29)9-2-1-3-10-21)22-13-16-5-7-17(8-6-16)14-25-12-4-11-23-25/h4-8,11-12H,1-3,9-10,13-15H2,(H,22,27)(H,24,29)
InChIKeyRSETUEVCUAHRDY-UHFFFAOYSA-N
XLogP1.80
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide 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

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55953112
2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403788
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643149
N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 52500436
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2125664
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CID 55638303
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 9451316
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 25403784) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RSETUEVCUAHRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-18(15-26-19(28)21(24-20(26)29)9-2-1-3-10-21)22-13-16-5-7-17(8-6-16)14-25-12-4-11-23-25/h4-8,11-12H,1-3,9-10,13-15H2,(H,22,27)(H,24,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 25403784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).