1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid

C13H19N3O5 — CID 66068830

IUPAC1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O5/c1-13(2)11(20)14-9(17)7-16(13)12(21)15-5-3-8(4-6-15)10(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyNGGSDTUEJHAABD-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.36
Rot. Bonds1

About 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid

1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 66068830) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID66068830
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H19N3O5/c1-13(2)11(20)14-9(17)7-16(13)12(21)15-5-3-8(4-6-15)10(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,17,20)
InChIKeyNGGSDTUEJHAABD-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.36
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-(piperazine-1-carbonyl)piperazine-2,6-dione
CID 66074354
(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945393
(4R)-3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 66076382
3-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 66075175
methyl 2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetate
CID 112617395
4-but-2-ynoyl-3,3-dimethylpiperazine-2,6-dione
CID 107989921
1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 66084548
4-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-4-oxobut-2-enoic acid
CID 77112084
3,3-dimethyl-4-(2-methylpiperidine-4-carbonyl)piperazine-2,6-dione
CID 106740243
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
3,3-dimethyl-4-(oxane-3-carbonyl)piperazine-2,6-dione
CID 66075144
1-(2,2,6,6-tetramethylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 102744940

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid (CID 66068830) is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid is CC1(C)C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is NGGSDTUEJHAABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-13(2)11(20)14-9(17)7-16(13)12(21)15-5-3-8(4-6-15)10(18)19/h8H,3-7H2,1-2H3,(H,18,19)(H,14,17,20).
What are the key properties of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid?
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 66068830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).