1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C22H23FN2O3 — CID 155991075

IUPAC1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O3/c23-17-6-8-18(9-7-17)28-15-22(27)10-3-11-25(14-22)21(26)12-16-13-24-20-5-2-1-4-19(16)20/h1-2,4-9,13,24,27H,3,10-12,14-15H2
InChIKeyPZNLLNRZHHCBTD-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.28
Rot. Bonds5

About 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 155991075) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID155991075
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCCC(O)(COc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O3/c23-17-6-8-18(9-7-17)28-15-22(27)10-3-11-25(14-22)21(26)12-16-13-24-20-5-2-1-4-19(16)20/h1-2,4-9,13,24,27H,3,10-12,14-15H2
InChIKeyPZNLLNRZHHCBTD-UHFFFAOYSA-N
XLogP3.28
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone 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

1-[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 155991845
2-[1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-3-hydroxypiperidin-3-yl]acetamide
CID 154744665
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 155991731
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-phenylethanone
CID 155990787
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
N-[4-(4-fluorophenoxy)butyl]-2-(1H-indol-3-yl)acetamide
CID 17405014
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-(1H-indol-3-yl)-1-[(3S)-3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 95831514

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 155991075) is 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCCC(O)(COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is PZNLLNRZHHCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-17-6-8-18(9-7-17)28-15-22(27)10-3-11-25(14-22)21(26)12-16-13-24-20-5-2-1-4-19(16)20/h1-2,4-9,13,24,27H,3,10-12,14-15H2.
What are the key properties of 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 155991075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).