4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide

C16H23FN2O3 — CID 125166360

IUPAC4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
SMILESCOCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C16H23FN2O3/c1-22-8-7-19-6-2-3-12(11-19)10-18-16(21)14-5-4-13(17)9-15(14)20/h4-5,9,12,20H,2-3,6-8,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyMLMGWBCOVGAODG-GFCCVEGCSA-N
MW310.37 g/mol
LogP1.62
Rot. Bonds6

About 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide

4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 125166360) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
PubChem CID125166360
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
SMILESCOCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2O)C1
InChIInChI=1S/C16H23FN2O3/c1-22-8-7-19-6-2-3-12(11-19)10-18-16(21)14-5-4-13(17)9-15(14)20/h4-5,9,12,20H,2-3,6-8,10-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyMLMGWBCOVGAODG-GFCCVEGCSA-N
XLogP1.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
3-(5-fluoro-2-methylphenyl)-N-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 126442048
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
5-fluoro-2-iodo-N-[(1-propan-2-ylpiperidin-3-yl)methyl]benzamide
CID 60616293
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-2-hydroxybenzamide
CID 113304561
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide (CID 125166360) is 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide is COCCN1CCC[C@H](CNC(=O)c2ccc(F)cc2O)C1.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is MLMGWBCOVGAODG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-22-8-7-19-6-2-3-12(11-19)10-18-16(21)14-5-4-13(17)9-15(14)20/h4-5,9,12,20H,2-3,6-8,10-11H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide?
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 310.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 125166360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).