4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

C21H25FN2O3 — CID 119074698

IUPAC4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc(-c2cc(F)ccc2O)cc1
InChIInChI=1S/C21H25FN2O3/c22-17-8-9-20(26)19(13-17)15-4-6-16(7-5-15)21(27)23-10-12-24-11-2-1-3-18(24)14-25/h4-9,13,18,25-26H,1-3,10-12,14H2,(H,23,27)
InChIKeyCYNKKTVSBANJSW-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.77
Rot. Bonds6

About 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 119074698) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID119074698
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCCCC1CO)c1ccc(-c2cc(F)ccc2O)cc1
InChIInChI=1S/C21H25FN2O3/c22-17-8-9-20(26)19(13-17)15-4-6-16(7-5-15)21(27)23-10-12-24-11-2-1-3-18(24)14-25/h4-9,13,18,25-26H,1-3,10-12,14H2,(H,23,27)
InChIKeyCYNKKTVSBANJSW-UHFFFAOYSA-N
XLogP2.77
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126450240
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
4-(6-cyano-3-pyridinyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 126437733
N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 125157558
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
1-[(2-chloro-4-fluorophenyl)methyl]-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]triazole-4-carboxamide
CID 45191567
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (CID 119074698) is 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is O=C(NCCN1CCCCC1CO)c1ccc(-c2cc(F)ccc2O)cc1.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is CYNKKTVSBANJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-17-8-9-20(26)19(13-17)15-4-6-16(7-5-15)21(27)23-10-12-24-11-2-1-3-18(24)14-25/h4-9,13,18,25-26H,1-3,10-12,14H2,(H,23,27).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 119074698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).