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

C13H19N3O5 — CID 66069367

IUPAC1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1C(=O)NC(=O)CN1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H19N3O5/c1-2-9-11(18)14-10(17)7-16(9)13(21)15-5-3-4-8(6-15)12(19)20/h8-9H,2-7H2,1H3,(H,19,20)(H,14,17,18)
InChIKeyJOYFDUJKKKRDBF-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.36
Rot. Bonds2

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

1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 66069367) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID66069367
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid
SMILESCCC1C(=O)NC(=O)CN1C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H19N3O5/c1-2-9-11(18)14-10(17)7-16(9)13(21)15-5-3-4-8(6-15)12(19)20/h8-9H,2-7H2,1H3,(H,19,20)(H,14,17,18)
InChIKeyJOYFDUJKKKRDBF-UHFFFAOYSA-N
XLogP-0.36
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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

(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
(3S)-1-(2-propylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 83055984
(3R)-1-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl)piperidine-3-carboxylic acid
CID 103197380
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
(3S)-1-(5-ethyl-2-methylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 81126016
(3R)-1-(2-cyclopentylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120757
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid (CID 66069367) is 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid is CCC1C(=O)NC(=O)CN1C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is JOYFDUJKKKRDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-9-11(18)14-10(17)7-16(9)13(21)15-5-3-4-8(6-15)12(19)20/h8-9H,2-7H2,1H3,(H,19,20)(H,14,17,18).
What are the key properties of 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid?
1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 66069367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).