2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide

C17H32N4O2 — CID 56752903

IUPAC2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide
SMILESCCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C17H32N4O2/c1-6-16(2,3)18-14(22)15(23)21-9-7-17(8-10-21)13-19(4)11-12-20(17)5/h6-13H2,1-5H3,(H,18,22)
InChIKeyCAMDSWUOQWBUKN-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.53
Rot. Bonds2

About 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide

2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide (PubChem CID 56752903) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide
PubChem CID56752903
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide
SMILESCCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C17H32N4O2/c1-6-16(2,3)18-14(22)15(23)21-9-7-17(8-10-21)13-19(4)11-12-20(17)5/h6-13H2,1-5H3,(H,18,22)
InChIKeyCAMDSWUOQWBUKN-UHFFFAOYSA-N
XLogP0.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N-(2,2,6,6-tetramethyl-4-piperidinyl)-2-((2,2,6,6-tetramethyl-4-piperidinyl)amino)-
CID 579978
1'-Propionyl-1,4'-bipiperidine-4'-carboxamide
CID 1505268
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
(6S)-1-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 45281051
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 580079
1-[[1-(3,3-Dimethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281021
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
1-[[1-(2-Methylpropyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281027
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide?
The IUPAC name of 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide (CID 56752903) is 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide is CCC(C)(C)NC(=O)C(=O)N1CCC2(CC1)CN(C)CCN2C.
What is the InChIKey of 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide?
The InChIKey is CAMDSWUOQWBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-6-16(2,3)18-14(22)15(23)21-9-7-17(8-10-21)13-19(4)11-12-20(17)5/h6-13H2,1-5H3,(H,18,22).
What are the key properties of 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide?
2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide has a molecular weight of 324.47 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-N-(2-methylbutan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 56752903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).