2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide

C14H19FN2O2 — CID 107677215

IUPAC2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2F)CCCNC1
InChIInChI=1S/C14H19FN2O2/c1-14(5-2-6-16-8-14)9-17-13(19)11-4-3-10(18)7-12(11)15/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeySNKPLEPJGGZEME-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.65
Rot. Bonds3

About 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide

2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide (PubChem CID 107677215) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
PubChem CID107677215
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(O)cc2F)CCCNC1
InChIInChI=1S/C14H19FN2O2/c1-14(5-2-6-16-8-14)9-17-13(19)11-4-3-10(18)7-12(11)15/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H,17,19)
InChIKeySNKPLEPJGGZEME-UHFFFAOYSA-N
XLogP1.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
CID 114217968
2-fluoro-4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 113355644
1-[[(2-fluoro-4-hydroxybenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107675104
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677755
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
N-[(3-methylpiperidin-3-yl)methyl]pyridazine-4-carboxamide
CID 104671755
4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
N-[(3-methylpiperidin-3-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040294
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
5-ethyl-N-[(3-methylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 113400454

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide (CID 107677215) is 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(O)cc2F)CCCNC1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
The InChIKey is SNKPLEPJGGZEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-14(5-2-6-16-8-14)9-17-13(19)11-4-3-10(18)7-12(11)15/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide?
2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 107677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).