N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide

C21H24F2N2O3 — CID 155991884

IUPACN-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C21H24F2N2O3/c1-15-3-4-17(23)11-19(15)24-20(26)12-25-10-2-9-21(27,13-25)14-28-18-7-5-16(22)6-8-18/h3-8,11,27H,2,9-10,12-14H2,1H3,(H,24,26)
InChIKeyLXQNKAGISNLHAX-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.12
Rot. Bonds6

About N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (PubChem CID 155991884) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
PubChem CID155991884
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C21H24F2N2O3/c1-15-3-4-17(23)11-19(15)24-20(26)12-25-10-2-9-21(27,13-25)14-28-18-7-5-16(22)6-8-18/h3-8,11,27H,2,9-10,12-14H2,1H3,(H,24,26)
InChIKeyLXQNKAGISNLHAX-UHFFFAOYSA-N
XLogP3.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
2-[(3S)-3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 125006358
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991987
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
CID 155991971
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770541
3-amino-1-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324973
2-[4-[(4-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 155991207
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766898
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide (CID 155991884) is N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1CCCC(O)(COc2ccc(F)cc2)C1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
The InChIKey is LXQNKAGISNLHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-15-3-4-17(23)11-19(15)24-20(26)12-25-10-2-9-21(27,13-25)14-28-18-7-5-16(22)6-8-18/h3-8,11,27H,2,9-10,12-14H2,1H3,(H,24,26).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide is sourced from PubChem (CID 155991884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).