8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H32N4O4 — CID 110084280

IUPAC8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H32N4O4/c1-17(2)16-20(29)26-12-8-19(9-13-26)28-22(31)24(25-23(28)32)10-14-27(15-11-24)21(30)18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3,(H,25,32)
InChIKeyAUUKGUSLWYLJMF-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.25
Rot. Bonds4

About 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110084280) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110084280
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1
InChIInChI=1S/C24H32N4O4/c1-17(2)16-20(29)26-12-8-19(9-13-26)28-22(31)24(25-23(28)32)10-14-27(15-11-24)21(30)18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3,(H,25,32)
InChIKeyAUUKGUSLWYLJMF-UHFFFAOYSA-N
XLogP2.25
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110084280) is 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CC(=O)N1CCC(N2C(=O)NC3(CCN(C(=O)c4ccccc4)CC3)C2=O)CC1.
What is the InChIKey of 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AUUKGUSLWYLJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-17(2)16-20(29)26-12-8-19(9-13-26)28-22(31)24(25-23(28)32)10-14-27(15-11-24)21(30)18-6-4-3-5-7-18/h3-7,17,19H,8-16H2,1-2H3,(H,25,32).
What are the key properties of 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 440.54 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110084280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).