9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid

C20H17NO4 — CID 154125331

IUPAC9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccc(N3CCCCC3)cc1C2=O
InChIInChI=1S/C20H17NO4/c22-18-15-7-5-13(21-8-2-1-3-9-21)11-17(15)19(23)14-6-4-12(20(24)25)10-16(14)18/h4-7,10-11H,1-3,8-9H2,(H,24,25)
InChIKeyYRWWYXRRHICEFZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.15
Rot. Bonds2

About 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid

9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid (PubChem CID 154125331) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid.

Molecular Properties

Compound Name9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
PubChem CID154125331
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)c1ccc(N3CCCCC3)cc1C2=O
InChIInChI=1S/C20H17NO4/c22-18-15-7-5-13(21-8-2-1-3-9-21)11-17(15)19(23)14-6-4-12(20(24)25)10-16(14)18/h4-7,10-11H,1-3,8-9H2,(H,24,25)
InChIKeyYRWWYXRRHICEFZ-UHFFFAOYSA-N
XLogP3.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
6-amino-9,10-dioxoanthracene-2-carboxylic acid
CID 154137523
9,10-dioxo-6-sulfoanthracene-2-carboxylic acid
CID 20530067
9,10-dioxo-6,7-dihydroanthracene-2-carboxylic acid
CID 144801520
5-(azepan-1-yl)benzene-1,3-dicarboxylic acid
CID 79694523
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
2,7-bis(4-methylpiperazin-1-yl)fluoren-9-one
CID 57403295
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231

Frequently Asked Questions

What is the IUPAC name of 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid?
The IUPAC name of 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid (CID 154125331) is 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid.
What is the SMILES notation for 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid?
The canonical SMILES for 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)c1ccc(N3CCCCC3)cc1C2=O.
What is the InChIKey of 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid?
The InChIKey is YRWWYXRRHICEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-18-15-7-5-13(21-8-2-1-3-9-21)11-17(15)19(23)14-6-4-12(20(24)25)10-16(14)18/h4-7,10-11H,1-3,8-9H2,(H,24,25).
What are the key properties of 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid?
9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dioxo-6-piperidin-1-ylanthracene-2-carboxylic acid is sourced from PubChem (CID 154125331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).