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

C22H26ClFN2O3 — CID 132766579

IUPAC2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26ClFN2O3/c1-16-3-8-19(23)20(11-16)29-15-22(28)9-2-10-26(14-22)13-21(27)25-12-17-4-6-18(24)7-5-17/h3-8,11,28H,2,9-10,12-15H2,1H3,(H,25,27)
InChIKeyFSGQOKLUWRQMGT-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.31
Rot. Bonds7

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

2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 132766579) has the molecular formula C22H26ClFN2O3 and a molecular weight of 420.91 g/mol. Its IUPAC name is 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID132766579
Molecular FormulaC22H26ClFN2O3
Molecular Weight420.91 g/mol
Exact Mass420.16
IUPAC Name2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1ccc(Cl)c(OCC2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H26ClFN2O3/c1-16-3-8-19(23)20(11-16)29-15-22(28)9-2-10-26(14-22)13-21(27)25-12-17-4-6-18(24)7-5-17/h3-8,11,28H,2,9-10,12-15H2,1H3,(H,25,27)
InChIKeyFSGQOKLUWRQMGT-UHFFFAOYSA-N
XLogP3.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 132767208
2-[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766898
2-[4-[(2,4-dimethylphenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 132766405
2-[(4S)-4-[(2-fluorophenoxy)methyl]-4-hydroxyazepan-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 129454842
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
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
3-[(2-chloro-5-methylphenoxy)methyl]-1-[[3-methoxy-4-[3-(2-methylimidazol-1-yl)propoxy]phenyl]methyl]piperidin-3-ol
CID 132768866
2-[(3S)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 129453545
N,N-diethyl-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155990783
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 132766579) is 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is Cc1ccc(Cl)c(OCC2(O)CCCN(CC(=O)NCc3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FSGQOKLUWRQMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN2O3/c1-16-3-8-19(23)20(11-16)29-15-22(28)9-2-10-26(14-22)13-21(27)25-12-17-4-6-18(24)7-5-17/h3-8,11,28H,2,9-10,12-15H2,1H3,(H,25,27).
What are the key properties of 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 420.91 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-5-methylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 132766579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).