8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione

C16H21N3O2 — CID 130597226

IUPAC8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
SMILESCN1CC(=O)NC(=O)C12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H21N3O2/c1-18-11-14(20)17-15(21)16(18)8-5-9-19(12-16)10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20,21)
InChIKeyVPPBKLBKWAOLKN-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.61
Rot. Bonds2

About 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione

8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione (PubChem CID 130597226) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
PubChem CID130597226
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
SMILESCN1CC(=O)NC(=O)C12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H21N3O2/c1-18-11-14(20)17-15(21)16(18)8-5-9-19(12-16)10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20,21)
InChIKeyVPPBKLBKWAOLKN-UHFFFAOYSA-N
XLogP0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
2-benzyl-11-methyl-2,9-diazaspiro[5.5]undecane-8,10-dione
CID 79309828
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
CID 79960832
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
(5S)-1-phenyl-9-(2-phenylethyl)-1,3,9-triazaspiro[4.5]decan-4-one
CID 7327809
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane;7-benzyl-4-methyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 157188853

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione (CID 130597226) is 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione is CN1CC(=O)NC(=O)C12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione?
The InChIKey is VPPBKLBKWAOLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18-11-14(20)17-15(21)16(18)8-5-9-19(12-16)10-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20,21).
What are the key properties of 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione?
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione has a molecular weight of 287.36 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 130597226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).