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

C23H32N4O3 — CID 110084151

IUPAC8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C23H32N4O3/c1-2-6-20(28)26-13-9-19(10-14-26)27-21(29)23(24-22(27)30)11-15-25(16-12-23)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,24,30)
InChIKeySEJVIJMACXCQDB-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.36
Rot. Bonds5

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

8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084151) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084151
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C23H32N4O3/c1-2-6-20(28)26-13-9-19(10-14-26)27-21(29)23(24-22(27)30)11-15-25(16-12-23)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,24,30)
InChIKeySEJVIJMACXCQDB-UHFFFAOYSA-N
XLogP2.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

3-(1-butanoylpiperidin-4-yl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084133
8-benzyl-3-[1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084171
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
3-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084271
8-benzyl-3-[1-(pyrazine-2-carbonyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084159
8-(2-methylpropanoyl)-3-[1-(2-phenylacetyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92620525
3-(1-benzoylpiperidin-3-yl)-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110075843
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[2-[3-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 110084309
3-[1-(2-methylcyclopropanecarbonyl)piperidin-4-yl]-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084272
3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085211
8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084280

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084151) is 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCC(=O)N1CCC(N2C(=O)NC3(CCN(Cc4ccccc4)CC3)C2=O)CC1.
What is the InChIKey of 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SEJVIJMACXCQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-2-6-20(28)26-13-9-19(10-14-26)27-21(29)23(24-22(27)30)11-15-25(16-12-23)17-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3,(H,24,30).
What are the key properties of 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 412.53 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(1-butanoylpiperidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).