2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione

C17H22N2O2 — CID 79309828

IUPAC2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
SMILESCC1C(=O)NC(=O)CC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C17H22N2O2/c1-13-16(21)18-15(20)10-17(13)8-5-9-19(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20,21)
InChIKeyXEQBVXYTCYVMHW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.95
Rot. Bonds2

About 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione

2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione (PubChem CID 79309828) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione.

Molecular Properties

Compound Name2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
PubChem CID79309828
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
SMILESCC1C(=O)NC(=O)CC12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C17H22N2O2/c1-13-16(21)18-15(20)10-17(13)8-5-9-19(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20,21)
InChIKeyXEQBVXYTCYVMHW-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-11-ethyl-2,9-diazaspiro[5.5]undecane
CID 79321420
2-benzyl-11-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 79310836
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
9-benzyl-7-azaspiro[3.5]nonane-6,8-dione
CID 79317706
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
9-benzyl-2-methyl-7-azaspiro[3.5]nonane-6,8-dione
CID 103565591

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione?
The IUPAC name of 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione (CID 79309828) is 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione.
What is the SMILES notation for 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione?
The canonical SMILES for 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione is CC1C(=O)NC(=O)CC12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione?
The InChIKey is XEQBVXYTCYVMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-16(21)18-15(20)10-17(13)8-5-9-19(12-17)11-14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,18,20,21).
What are the key properties of 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione?
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione has a molecular weight of 286.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione is sourced from PubChem (CID 79309828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).