3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide

C13H20N4O4 — CID 66075175

IUPAC3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H20N4O4/c1-13(2)11(20)15-9(18)7-17(13)10(19)8-4-3-5-16(6-8)12(14)21/h8H,3-7H2,1-2H3,(H2,14,21)(H,15,18,20)
InChIKeyALAZJKPLCUCIJZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.96
Rot. Bonds1

About 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide

3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 66075175) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide
PubChem CID66075175
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1CCCN(C(N)=O)C1
InChIInChI=1S/C13H20N4O4/c1-13(2)11(20)15-9(18)7-17(13)10(19)8-4-3-5-16(6-8)12(14)21/h8H,3-7H2,1-2H3,(H2,14,21)(H,15,18,20)
InChIKeyALAZJKPLCUCIJZ-UHFFFAOYSA-N
XLogP-0.96
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-4-(oxane-3-carbonyl)piperazine-2,6-dione
CID 66075144
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione
CID 106740243
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 66068830
(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945393
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
3,3-dimethyl-4-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354
3-[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 114778938

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide (CID 66075175) is 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide is CC1(C)C(=O)NC(=O)CN1C(=O)C1CCCN(C(N)=O)C1.
What is the InChIKey of 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is ALAZJKPLCUCIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-13(2)11(20)15-9(18)7-17(13)10(19)8-4-3-5-16(6-8)12(14)21/h8H,3-7H2,1-2H3,(H2,14,21)(H,15,18,20).
What are the key properties of 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide?
3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of -0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 66075175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).