2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide

C13H18N2O3 — CID 107721922

IUPAC2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
SMILESCC1CCC(NC(=O)c2cc(O)ccc2O)CN1
InChIInChI=1S/C13H18N2O3/c1-8-2-3-9(7-14-8)15-13(18)11-6-10(16)4-5-12(11)17/h4-6,8-9,14,16-17H,2-3,7H2,1H3,(H,15,18)
InChIKeyZYANZVKWPXRJGM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.97
Rot. Bonds2

About 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide

2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide (PubChem CID 107721922) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
PubChem CID107721922
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide
SMILESCC1CCC(NC(=O)c2cc(O)ccc2O)CN1
InChIInChI=1S/C13H18N2O3/c1-8-2-3-9(7-14-8)15-13(18)11-6-10(16)4-5-12(11)17/h4-6,8-9,14,16-17H,2-3,7H2,1H3,(H,15,18)
InChIKeyZYANZVKWPXRJGM-UHFFFAOYSA-N
XLogP0.97
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxy-N-(3-methylcyclopentyl)benzamide
CID 107723891
N-(3,5-dimethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723193
2,5-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 107722644
2,5-dihydroxy-N-(2-methyloxan-4-yl)benzamide
CID 114108164
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2-hydroxy-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995573
2,5-dihydroxy-N-(thian-3-yl)benzamide
CID 107723796
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
4-hydroxy-2-methyl-N-piperidin-4-ylbenzamide
CID 107671351
2-hydroxy-5-iodo-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107732166
2,5-dihydroxy-N-(2-methoxycyclopentyl)benzamide
CID 107722870

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide (CID 107721922) is 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide is CC1CCC(NC(=O)c2cc(O)ccc2O)CN1.
What is the InChIKey of 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide?
The InChIKey is ZYANZVKWPXRJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-2-3-9(7-14-8)15-13(18)11-6-10(16)4-5-12(11)17/h4-6,8-9,14,16-17H,2-3,7H2,1H3,(H,15,18).
What are the key properties of 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide?
2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide has a molecular weight of 250.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(6-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 107721922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).