1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C14H13N3O4 — CID 107432864

IUPAC1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2c[nH]c3ccccc23)C(C(=O)O)CN1
InChIInChI=1S/C14H13N3O4/c18-12-7-17(11(6-16-12)14(20)21)13(19)9-5-15-10-4-2-1-3-8(9)10/h1-5,11,15H,6-7H2,(H,16,18)(H,20,21)
InChIKeyHQBUUHVTRUHVMV-UHFFFAOYSA-N
MW287.27 g/mol
LogP0.19
Rot. Bonds2

About 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432864) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432864
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2c[nH]c3ccccc23)C(C(=O)O)CN1
InChIInChI=1S/C14H13N3O4/c18-12-7-17(11(6-16-12)14(20)21)13(19)9-5-15-10-4-2-1-3-8(9)10/h1-5,11,15H,6-7H2,(H,16,18)(H,20,21)
InChIKeyHQBUUHVTRUHVMV-UHFFFAOYSA-N
XLogP0.19
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433226
1-(2-methylsulfanylpyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433153
1-(2,4-dihydroxybenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433324
1-(2,5-difluorobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107432918
1-(2,4-dibromobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107938417
1-(2-hydroxy-5-iodobenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107731478
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
5-oxo-1-(pyridazine-4-carbonyl)piperazine-2-carboxylic acid
CID 107433192
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-[(2-iodophenyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437539

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107432864) is 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2c[nH]c3ccccc23)C(C(=O)O)CN1.
What is the InChIKey of 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is HQBUUHVTRUHVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12-7-17(11(6-16-12)14(20)21)13(19)9-5-15-10-4-2-1-3-8(9)10/h1-5,11,15H,6-7H2,(H,16,18)(H,20,21).
What are the key properties of 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).