3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

C22H27FN2O2 — CID 126450240

IUPAC3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1cc(F)ccc1-c1cccc(C(=O)NCCN2CCCC[C@@H]2CO)c1
InChIInChI=1S/C22H27FN2O2/c1-16-13-19(23)8-9-21(16)17-5-4-6-18(14-17)22(27)24-10-12-25-11-3-2-7-20(25)15-26/h4-6,8-9,13-14,20,26H,2-3,7,10-12,15H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyHWQCLQYCHDOEKK-HXUWFJFHSA-N
MW370.47 g/mol
LogP3.38
Rot. Bonds6

About 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide

3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (PubChem CID 126450240) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
PubChem CID126450240
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
SMILESCc1cc(F)ccc1-c1cccc(C(=O)NCCN2CCCC[C@@H]2CO)c1
InChIInChI=1S/C22H27FN2O2/c1-16-13-19(23)8-9-21(16)17-5-4-6-18(14-17)22(27)24-10-12-25-11-3-2-7-20(25)15-26/h4-6,8-9,13-14,20,26H,2-3,7,10-12,15H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyHWQCLQYCHDOEKK-HXUWFJFHSA-N
XLogP3.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 125157558
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-pyridin-4-ylbenzamide
CID 125163852
4-(5-fluoro-2-hydroxyphenyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 119074698
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125446361
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 121497077
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide (CID 126450240) is 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is Cc1cc(F)ccc1-c1cccc(C(=O)NCCN2CCCC[C@@H]2CO)c1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is HWQCLQYCHDOEKK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-13-19(23)8-9-21(16)17-5-4-6-18(14-17)22(27)24-10-12-25-11-3-2-7-20(25)15-26/h4-6,8-9,13-14,20,26H,2-3,7,10-12,15H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide?
3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 370.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 126450240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).