2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

C23H28ClFN2O3 — CID 132766898

IUPAC2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCc1cc(OCC2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl
InChIInChI=1S/C23H28ClFN2O3/c1-16-9-20(10-17(2)22(16)24)30-15-23(29)7-4-8-27(14-23)13-21(28)26-12-18-5-3-6-19(25)11-18/h3,5-6,9-11,29H,4,7-8,12-15H2,1-2H3,(H,26,28)
InChIKeyZOICAPZPLCPUSV-UHFFFAOYSA-N
MW434.94 g/mol
LogP3.62
Rot. Bonds7

About 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 132766898) has the molecular formula C23H28ClFN2O3 and a molecular weight of 434.94 g/mol. Its IUPAC name is 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID132766898
Molecular FormulaC23H28ClFN2O3
Molecular Weight434.94 g/mol
Exact Mass434.18
IUPAC Name2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESCc1cc(OCC2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl
InChIInChI=1S/C23H28ClFN2O3/c1-16-9-20(10-17(2)22(16)24)30-15-23(29)7-4-8-27(14-23)13-21(28)26-12-18-5-3-6-19(25)11-18/h3,5-6,9-11,29H,4,7-8,12-15H2,1-2H3,(H,26,28)
InChIKeyZOICAPZPLCPUSV-UHFFFAOYSA-N
XLogP3.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 129453545
2-[4-[(2,4-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766405
2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 132766579
N-(5-fluoro-2-methylphenyl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991884
N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874067
1-[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-3-phenylpropan-1-one
CID 155991385
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]piperidin-3-ol
CID 155992351
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 132767208
2-(1,4-diazepan-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 62838248
[4-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 155991344
3-[(4-chloro-3,5-dimethylphenoxy)methyl]-1-[[4-[2-(3-methylpyrazol-1-yl)ethoxy]phenyl]methyl]piperidin-3-ol
CID 132768212
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 132766898) is 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide is Cc1cc(OCC2(O)CCCN(CC(=O)NCc3cccc(F)c3)C2)cc(C)c1Cl.
What is the InChIKey of 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is ZOICAPZPLCPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN2O3/c1-16-9-20(10-17(2)22(16)24)30-15-23(29)7-4-8-27(14-23)13-21(28)26-12-18-5-3-6-19(25)11-18/h3,5-6,9-11,29H,4,7-8,12-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 434.94 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 132766898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).