1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H23N3O3 — CID 165427416

IUPAC1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(C1CCC1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c23-16(15-7-4-8-15)21-11-9-19(10-12-21)17(24)20-18(25)22(19)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24,25)
InChIKeyZFOQGVXXUMAZBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.90
Rot. Bonds3

About 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165427416) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165427416
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(C1CCC1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c23-16(15-7-4-8-15)21-11-9-19(10-12-21)17(24)20-18(25)22(19)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24,25)
InChIKeyZFOQGVXXUMAZBE-UHFFFAOYSA-N
XLogP1.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-8-(1,2-oxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165424928
1-benzyl-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418293
1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874
1-benzyl-8-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427848
1-benzyl-3-(2-hydroxyethyl)-8-(oxane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613134
1-benzyl-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165419853
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-benzyl-8-morpholin-4-ylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165418331
(3S)-3-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 97196453
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165427416) is 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(C1CCC1)N1CCC2(CC1)C(=O)NC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZFOQGVXXUMAZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-16(15-7-4-8-15)21-11-9-19(10-12-21)17(24)20-18(25)22(19)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,24,25).
What are the key properties of 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(cyclobutanecarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165427416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).