2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide

C12H14N2O4 — CID 114344266

IUPAC2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1cccc(O)c1O
InChIInChI=1S/C12H14N2O4/c15-9-5-1-3-7(10(9)16)11(17)14-8-4-2-6-13-12(8)18/h1,3,5,8,15-16H,2,4,6H2,(H,13,18)(H,14,17)
InChIKeyRENDLVDWBRXCAM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.11
Rot. Bonds2

About 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide

2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 114344266) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID114344266
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1cccc(O)c1O
InChIInChI=1S/C12H14N2O4/c15-9-5-1-3-7(10(9)16)11(17)14-8-4-2-6-13-12(8)18/h1,3,5,8,15-16H,2,4,6H2,(H,13,18)(H,14,17)
InChIKeyRENDLVDWBRXCAM-UHFFFAOYSA-N
XLogP0.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
2-(ethylamino)-3-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 62662588
3-amino-2-nitro-N-(2-oxopiperidin-3-yl)benzamide
CID 115548625
2-hydroxy-3-[(2-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833669
N-(2-oxopiperidin-3-yl)-1H-indole-3-carboxamide
CID 49149499
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125446782
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide (CID 114344266) is 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide is O=C(NC1CCCNC1=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is RENDLVDWBRXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-9-5-1-3-7(10(9)16)11(17)14-8-4-2-6-13-12(8)18/h1,3,5,8,15-16H,2,4,6H2,(H,13,18)(H,14,17).
What are the key properties of 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide?
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 250.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 114344266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).