chempirical

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

C14H17N3O2CAS 28936-94-9259.31 g/mol

Open in Covalent MOL file
ONHNOHN
Tertiary amine

Properties

Molecular formula
C14H17N3O2
Molar mass
259.31 g/mol
Exact mass
259.1321 Da
Melting point
259–261 °C
logP
1.91Crippen estimate
Polar surface area
68.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
28936-94-9
SMILES
OC1=NC2(CCN(Cc3ccccc3)CC2)C(O)=N1
InChIKey
ISFXLJGTXHSNDU-UHFFFAOYSA-N
InChI
InChI=1S/C14H17N3O2/c18-12-14(16-13(19)15-12)6-8-17(9-7-14)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,15,16,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • NSC 167706
  • 1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-(phenylmethyl)-
  • 1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-benzyl-
  • 8-Benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
  • 8-Benzyl-1,3,8-triazaspiro[4.5]decan-2,4-dione

Work with 8-(Phenylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diazaspiro[4.5]decane-2,4-dione702-62-548 % similar Phenytoin57-41-044 % similar 4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile6094-60-643 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-543 % similar 1,1-Dimethylethyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate183673-70-342 % similar Nirvanol631-07-242 % similar 2,2′-[(Phenylmethyl)imino]bis[ethanol]101-32-641 % similar 1-Benzylpiperidine2905-56-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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