2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C22H27N5O3 — CID 55953112

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(Cn3cccn3)c1)C2=O
InChIInChI=1S/C22H27N5O3/c1-16-6-8-22(9-7-16)20(29)27(21(30)25-22)15-19(28)23-13-17-4-2-5-18(12-17)14-26-11-3-10-24-26/h2-5,10-12,16H,6-9,13-15H2,1H3,(H,23,28)(H,25,30)
InChIKeyZDJSYBDSBRKSFB-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.05
Rot. Bonds6

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55953112) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55953112
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(Cn3cccn3)c1)C2=O
InChIInChI=1S/C22H27N5O3/c1-16-6-8-22(9-7-16)20(29)27(21(30)25-22)15-19(28)23-13-17-4-2-5-18(12-17)14-26-11-3-10-24-26/h2-5,10-12,16H,6-9,13-15H2,1H3,(H,23,28)(H,25,30)
InChIKeyZDJSYBDSBRKSFB-UHFFFAOYSA-N
XLogP2.05
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
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[4.5]decan-3-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 25403784
N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903583
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 55698077
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119744704
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
N-(2-benzylsulfanylethyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7630358
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806370
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55953112) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)NCc1cccc(Cn3cccn3)c1)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ZDJSYBDSBRKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-16-6-8-22(9-7-16)20(29)27(21(30)25-22)15-19(28)23-13-17-4-2-5-18(12-17)14-26-11-3-10-24-26/h2-5,10-12,16H,6-9,13-15H2,1H3,(H,23,28)(H,25,30).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55953112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).