2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide

C13H17FN2O2 — CID 107014738

IUPAC2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
SMILESCC1CCNCC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-5-6-15-7-10(8)16-13(18)12-9(14)3-2-4-11(12)17/h2-4,8,10,15,17H,5-7H2,1H3,(H,16,18)
InChIKeyGYSAIHYDHSWISK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.26
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide

2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide (PubChem CID 107014738) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
PubChem CID107014738
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide
SMILESCC1CCNCC1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H17FN2O2/c1-8-5-6-15-7-10(8)16-13(18)12-9(14)3-2-4-11(12)17/h2-4,8,10,15,17H,5-7H2,1H3,(H,16,18)
InChIKeyGYSAIHYDHSWISK-UHFFFAOYSA-N
XLogP1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
CID 120553263
2,6-difluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689143
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
N-(4-methylpiperidin-3-yl)benzamide
CID 63326220
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826149
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
2-fluoro-6-hydroxy-N-(2-methylsulfanylcyclohexyl)benzamide
CID 104917753
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide (CID 107014738) is 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide is CC1CCNCC1NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide?
The InChIKey is GYSAIHYDHSWISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-5-6-15-7-10(8)16-13(18)12-9(14)3-2-4-11(12)17/h2-4,8,10,15,17H,5-7H2,1H3,(H,16,18).
What are the key properties of 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide?
2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(4-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 107014738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).