1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

C12H21N3O2 — CID 142170444

IUPAC1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)CNC(=O)C12CCNCC2
InChIInChI=1S/C12H21N3O2/c1-2-3-8-15-10(16)9-14-11(17)12(15)4-6-13-7-5-12/h13H,2-9H2,1H3,(H,14,17)
InChIKeyIACOBRKMIYMVMR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.13
Rot. Bonds3

About 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione

1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (PubChem CID 142170444) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
PubChem CID142170444
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
SMILESCCCCN1C(=O)CNC(=O)C12CCNCC2
InChIInChI=1S/C12H21N3O2/c1-2-3-8-15-10(16)9-14-11(17)12(15)4-6-13-7-5-12/h13H,2-9H2,1H3,(H,14,17)
InChIKeyIACOBRKMIYMVMR-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880891
(3R)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 23577440
(3R)-1-butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 58635369
1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103016990
1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64881288
4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 66936393
6-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114532500
(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;methanesulfonic acid
CID 87734050
6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627705
1-butyl-5-methylidene-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 142066829
(3S)-1-butyl-3-(cyclohexylmethyl)-4-methyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 23577494

Frequently Asked Questions

What is the IUPAC name of 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione (CID 142170444) is 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is CCCCN1C(=O)CNC(=O)C12CCNCC2.
What is the InChIKey of 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
The InChIKey is IACOBRKMIYMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-3-8-15-10(16)9-14-11(17)12(15)4-6-13-7-5-12/h13H,2-9H2,1H3,(H,14,17).
What are the key properties of 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione?
1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione has a molecular weight of 239.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 142170444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).