N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide

C12H12N2O4 — CID 141087093

IUPACN-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
SMILESO=C1CC[C@H](NC(=O)c2ccccc2O)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-9-4-2-1-3-7(9)11(17)13-8-5-6-10(16)14-12(8)18/h1-4,8,15H,5-6H2,(H,13,17)(H,14,16,18)/t8-/m0/s1
InChIKeyVHKAULMYIVRQFG-QMMMGPOBSA-N
MW248.24 g/mol
LogP-0.07
Rot. Bonds2

About N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide

N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide (PubChem CID 141087093) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
PubChem CID141087093
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC NameN-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
SMILESO=C1CC[C@H](NC(=O)c2ccccc2O)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-9-4-2-1-3-7(9)11(17)13-8-5-6-10(16)14-12(8)18/h1-4,8,15H,5-6H2,(H,13,17)(H,14,16,18)/t8-/m0/s1
InChIKeyVHKAULMYIVRQFG-QMMMGPOBSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-chloro-N-(2,6-dioxopiperidin-3-yl)-2-hydroxy-5-phenylbenzamide
CID 167770120
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900
N-(2,6-dioxopiperidin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103822655
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide (CID 141087093) is N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide is O=C1CC[C@H](NC(=O)c2ccccc2O)C(=O)N1.
What is the InChIKey of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide?
The InChIKey is VHKAULMYIVRQFG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-9-4-2-1-3-7(9)11(17)13-8-5-6-10(16)14-12(8)18/h1-4,8,15H,5-6H2,(H,13,17)(H,14,16,18)/t8-/m0/s1.
What are the key properties of N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide?
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide has a molecular weight of 248.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 141087093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).