3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

C13H16N2O4 — CID 103892579

IUPAC3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2cc(O)cc(O)c2)CCC1=O
InChIInChI=1S/C13H16N2O4/c1-15-7-9(2-3-12(15)18)14-13(19)8-4-10(16)6-11(17)5-8/h4-6,9,16-17H,2-3,7H2,1H3,(H,14,19)
InChIKeyOCQGYKJFMLLWSJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.45
Rot. Bonds2

About 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide

3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (PubChem CID 103892579) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
PubChem CID103892579
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
SMILESCN1CC(NC(=O)c2cc(O)cc(O)c2)CCC1=O
InChIInChI=1S/C13H16N2O4/c1-15-7-9(2-3-12(15)18)14-13(19)8-4-10(16)6-11(17)5-8/h4-6,9,16-17H,2-3,7H2,1H3,(H,14,19)
InChIKeyOCQGYKJFMLLWSJ-UHFFFAOYSA-N
XLogP0.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
5,6-dichloro-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 64670220
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853
4-bromo-2-hydroxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 96505596
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655482
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide (CID 103892579) is 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is CN1CC(NC(=O)c2cc(O)cc(O)c2)CCC1=O.
What is the InChIKey of 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
The InChIKey is OCQGYKJFMLLWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15-7-9(2-3-12(15)18)14-13(19)8-4-10(16)6-11(17)5-8/h4-6,9,16-17H,2-3,7H2,1H3,(H,14,19).
What are the key properties of 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide?
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide has a molecular weight of 264.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 103892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).