2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide

C13H17FN2O2 — CID 104917016

IUPAC2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-16-7-3-4-9(8-16)15-13(18)12-10(14)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyGKXPJRBUFOPFIX-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide

2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 104917016) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID104917016
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(NC(=O)c2c(O)cccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-16-7-3-4-9(8-16)15-13(18)12-10(14)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,18)
InChIKeyGKXPJRBUFOPFIX-UHFFFAOYSA-N
XLogP1.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
2-fluoro-6-[(1-methylpiperidin-3-yl)amino]benzoic acid
CID 79522040
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-[(3S)-1-(2-fluoro-6-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 99595335
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
CID 104920582
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
4-bromo-3-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 47422175
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide (CID 104917016) is 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(NC(=O)c2c(O)cccc2F)C1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is GKXPJRBUFOPFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16-7-3-4-9(8-16)15-13(18)12-10(14)5-2-6-11(12)17/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide?
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 104917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).