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

C14H16N4O3 — CID 60963106

IUPAC8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C14H16N4O3/c15-10-3-1-9(2-4-10)11(19)18-7-5-14(6-8-18)12(20)16-13(21)17-14/h1-4H,5-8,15H2,(H2,16,17,20,21)
InChIKeyLPQLLOZJXGHWOY-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.08
Rot. Bonds1

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

8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 60963106) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID60963106
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C14H16N4O3/c15-10-3-1-9(2-4-10)11(19)18-7-5-14(6-8-18)12(20)16-13(21)17-14/h1-4H,5-8,15H2,(H2,16,17,20,21)
InChIKeyLPQLLOZJXGHWOY-UHFFFAOYSA-N
XLogP0.08
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 51128402
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
8-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 24608682
8-(5-bromothiophene-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017586
8-[3-(4-fluorophenyl)but-2-enoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154775335
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
7-(6-fluoropyridine-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 79210280
7-(4-bromo-3-chlorobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 80998098
7-(3,5-dibromobenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 103908737
5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 24659198

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 60963106) is 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Nc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1.
What is the InChIKey of 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LPQLLOZJXGHWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-10-3-1-9(2-4-10)11(19)18-7-5-14(6-8-18)12(20)16-13(21)17-14/h1-4H,5-8,15H2,(H2,16,17,20,21).
What are the key properties of 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 288.31 g/mol, XLogP of 0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 60963106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).