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

C21H25N5O3 — CID 43068795

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2Cn2cccn2)C(=O)C12CCCCC2
InChIInChI=1S/C21H25N5O3/c1-24-20(29)26(19(28)21(24)10-5-2-6-11-21)15-18(27)23-17-9-4-3-8-16(17)14-25-13-7-12-22-25/h3-4,7-9,12-13H,2,5-6,10-11,14-15H2,1H3,(H,23,27)
InChIKeyZKWYYWLXQBKSSV-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.47
Rot. Bonds5

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

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 43068795) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID43068795
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESCN1C(=O)N(CC(=O)Nc2ccccc2Cn2cccn2)C(=O)C12CCCCC2
InChIInChI=1S/C21H25N5O3/c1-24-20(29)26(19(28)21(24)10-5-2-6-11-21)15-18(27)23-17-9-4-3-8-16(17)14-25-13-7-12-22-25/h3-4,7-9,12-13H,2,5-6,10-11,14-15H2,1H3,(H,23,27)
InChIKeyZKWYYWLXQBKSSV-UHFFFAOYSA-N
XLogP2.47
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55643149
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 51659294
N-[3-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 43068730
N-(2-ethyl-6-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7677753
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 38749385
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-phenylphenyl)acetamide
CID 7850067
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
2-(1-aminocyclobutyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79843343
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714045
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 36782418

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 43068795) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is CN1C(=O)N(CC(=O)Nc2ccccc2Cn2cccn2)C(=O)C12CCCCC2.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is ZKWYYWLXQBKSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-24-20(29)26(19(28)21(24)10-5-2-6-11-21)15-18(27)23-17-9-4-3-8-16(17)14-25-13-7-12-22-25/h3-4,7-9,12-13H,2,5-6,10-11,14-15H2,1H3,(H,23,27).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 43068795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).