2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide

C13H14N2O5 — CID 114344484

IUPAC2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
SMILESCN1C(=O)CCC(NC(=O)c2cccc(O)c2O)C1=O
InChIInChI=1S/C13H14N2O5/c1-15-10(17)6-5-8(13(15)20)14-12(19)7-3-2-4-9(16)11(7)18/h2-4,8,16,18H,5-6H2,1H3,(H,14,19)
InChIKeyJHCCYDBOXIMEJW-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.03
Rot. Bonds2

About 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide

2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 114344484) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
PubChem CID114344484
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
SMILESCN1C(=O)CCC(NC(=O)c2cccc(O)c2O)C1=O
InChIInChI=1S/C13H14N2O5/c1-15-10(17)6-5-8(13(15)20)14-12(19)7-3-2-4-9(16)11(7)18/h2-4,8,16,18H,5-6H2,1H3,(H,14,19)
InChIKeyJHCCYDBOXIMEJW-UHFFFAOYSA-N
XLogP-0.03
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 107671606
4-bromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-sulfanylbenzamide
CID 107031626
2,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide
CID 114372512
2-chloro-N-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylbenzamide
CID 107031618
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
4,5-dibromo-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-2-carboxamide
CID 80536565
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroxybenzamide
CID 142729740
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79321740
5-(3-hydroxyprop-1-ynyl)-N-(1-methyl-2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 79691136
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide (CID 114344484) is 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide is CN1C(=O)CCC(NC(=O)c2cccc(O)c2O)C1=O.
What is the InChIKey of 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
The InChIKey is JHCCYDBOXIMEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-15-10(17)6-5-8(13(15)20)14-12(19)7-3-2-4-9(16)11(7)18/h2-4,8,16,18H,5-6H2,1H3,(H,14,19).
What are the key properties of 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide?
2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 278.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(1-methyl-2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 114344484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).