2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

C20H23FN2O2 — CID 110921235

IUPAC2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1F
InChIInChI=1S/C20H23FN2O2/c21-19-7-2-1-6-18(19)20(25)22-17-5-3-4-16(12-17)13-23-10-8-15(14-24)9-11-23/h1-7,12,15,24H,8-11,13-14H2,(H,22,25)
InChIKeyQWOANBMRINZHGL-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.28
Rot. Bonds5

About 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide

2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (PubChem CID 110921235) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
PubChem CID110921235
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1F
InChIInChI=1S/C20H23FN2O2/c21-19-7-2-1-6-18(19)20(25)22-17-5-3-4-16(12-17)13-23-10-8-15(14-24)9-11-23/h1-7,12,15,24H,8-11,13-14H2,(H,22,25)
InChIKeyQWOANBMRINZHGL-UHFFFAOYSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872345
3-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 119872361
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylacetamide;dihydrochloride
CID 119872304
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 109478335
(2S)-2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-methylbutanamide
CID 119872351
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687
5-ethyl-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-1,3-oxazole-4-carboxamide
CID 84588040
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
2-amino-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120596313
2-fluoro-N-[3-methyl-1-oxo-1-[3-(piperidin-1-ylmethyl)anilino]butan-2-yl]benzamide
CID 55654631
3,4-difluoro-2-[[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]anilino]methyl]phenol
CID 166311219

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide (CID 110921235) is 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is O=C(Nc1cccc(CN2CCC(CO)CC2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
The InChIKey is QWOANBMRINZHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-19-7-2-1-6-18(19)20(25)22-17-5-3-4-16(12-17)13-23-10-8-15(14-24)9-11-23/h1-7,12,15,24H,8-11,13-14H2,(H,22,25).
What are the key properties of 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide?
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide has a molecular weight of 342.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 110921235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).