8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H16N4O3 — CID 62848964

IUPAC8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)Cc3ccccn3)CC2)N1
InChIInChI=1S/C14H16N4O3/c19-11(9-10-3-1-2-6-15-10)18-7-4-14(5-8-18)12(20)16-13(21)17-14/h1-3,6H,4-5,7-9H2,(H2,16,17,20,21)
InChIKeyPDYZXZGLSLIWMN-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.18
Rot. Bonds2

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

8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 62848964) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID62848964
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)Cc3ccccn3)CC2)N1
InChIInChI=1S/C14H16N4O3/c19-11(9-10-3-1-2-6-15-10)18-7-4-14(5-8-18)12(20)16-13(21)17-14/h1-3,6H,4-5,7-9H2,(H2,16,17,20,21)
InChIKeyPDYZXZGLSLIWMN-UHFFFAOYSA-N
XLogP-0.18
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917
7-[2-(2-fluorophenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996426
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
4-(1-methylpyrazol-4-yl)-8-(2-pyridin-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118743353

Frequently Asked Questions

What is the IUPAC name of 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 62848964) is 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)Cc3ccccn3)CC2)N1.
What is the InChIKey of 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PDYZXZGLSLIWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-11(9-10-3-1-2-6-15-10)18-7-4-14(5-8-18)12(20)16-13(21)17-14/h1-3,6H,4-5,7-9H2,(H2,16,17,20,21).
What are the key properties of 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).