1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid

C12H17N3O5 — CID 66084548

IUPAC1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(=O)N1
InChIInChI=1S/C12H17N3O5/c16-9-5-14(6-10(17)13-9)7-11(18)15-3-1-8(2-4-15)12(19)20/h8H,1-7H2,(H,19,20)(H,13,16,17)
InChIKeyWVEQJLHZRXUCSQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.73
Rot. Bonds3

About 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 66084548) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID66084548
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
SMILESO=C1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(=O)N1
InChIInChI=1S/C12H17N3O5/c16-9-5-14(6-10(17)13-9)7-11(18)15-3-1-8(2-4-15)12(19)20/h8H,1-7H2,(H,19,20)(H,13,16,17)
InChIKeyWVEQJLHZRXUCSQ-UHFFFAOYSA-N
XLogP-1.73
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 60702456
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)piperidine-4-carboxylic acid
CID 66068830
1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 62658566
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
piperidine-1,4-dicarboxylic acid
CID 18542445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid (CID 66084548) is 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid is O=C1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(=O)N1.
What is the InChIKey of 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is WVEQJLHZRXUCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-9-5-14(6-10(17)13-9)7-11(18)15-3-1-8(2-4-15)12(19)20/h8H,1-7H2,(H,19,20)(H,13,16,17).
What are the key properties of 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 66084548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).