8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H21N3O3 — CID 165428469

IUPAC8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13(21)19-10-8-17(9-11-19)15(22)18(2)16(23)20(17)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyPWJIWABYTQNDFK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.46
Rot. Bonds2

About 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165428469) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165428469
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1
InChIInChI=1S/C17H21N3O3/c1-13(21)19-10-8-17(9-11-19)15(22)18(2)16(23)20(17)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyPWJIWABYTQNDFK-UHFFFAOYSA-N
XLogP1.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
1-benzyl-3-methyl-8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421538
1-benzyl-3-methyl-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420624
8-[(2S)-2-amino-2-phenylacetyl]-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 166598743
1-benzyl-3-methyl-8-(2H-triazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427262
1-benzyl-3-methyl-8-(1-methylimidazole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427381
1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146896
1-benzyl-3-methyl-8-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418741
3-methyl-1-(2-methylpropyl)-8-(4-phenylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165424705
1-benzyl-3-(2-hydroxyethyl)-8-(1-methylpyrrole-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166616248
1-benzyl-8-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417701
1-benzyl-8-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165422795

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165428469) is 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(=O)N1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1.
What is the InChIKey of 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PWJIWABYTQNDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(21)19-10-8-17(9-11-19)15(22)18(2)16(23)20(17)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3.
What are the key properties of 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1-benzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165428469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).