1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid

C15H17N3O6 — CID 163221786

IUPAC1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid
SMILESO=C1CCC(N2C(=O)C=C(N3CCC(C(=O)O)CC3)C2=O)C(=O)N1
InChIInChI=1S/C15H17N3O6/c19-11-2-1-9(13(21)16-11)18-12(20)7-10(14(18)22)17-5-3-8(4-6-17)15(23)24/h7-9H,1-6H2,(H,23,24)(H,16,19,21)
InChIKeyRKTLZVYSCUWKAF-UHFFFAOYSA-N
MW335.32 g/mol
LogP-1.16
Rot. Bonds3

About 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid

1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid (PubChem CID 163221786) has the molecular formula C15H17N3O6 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid
PubChem CID163221786
Molecular FormulaC15H17N3O6
Molecular Weight335.32 g/mol
Exact Mass335.11
IUPAC Name1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid
SMILESO=C1CCC(N2C(=O)C=C(N3CCC(C(=O)O)CC3)C2=O)C(=O)N1
InChIInChI=1S/C15H17N3O6/c19-11-2-1-9(13(21)16-11)18-12(20)7-10(14(18)22)17-5-3-8(4-6-17)15(23)24/h7-9H,1-6H2,(H,23,24)(H,16,19,21)
InChIKeyRKTLZVYSCUWKAF-UHFFFAOYSA-N
XLogP-1.16
TPSA124.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid (CID 163221786) is 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid is O=C1CCC(N2C(=O)C=C(N3CCC(C(=O)O)CC3)C2=O)C(=O)N1.
What is the InChIKey of 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid?
The InChIKey is RKTLZVYSCUWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O6/c19-11-2-1-9(13(21)16-11)18-12(20)7-10(14(18)22)17-5-3-8(4-6-17)15(23)24/h7-9H,1-6H2,(H,23,24)(H,16,19,21).
What are the key properties of 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid?
1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid has a molecular weight of 335.32 g/mol, XLogP of -1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dioxopiperidin-3-yl)-2,5-dioxopyrrol-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 163221786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).