2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one

C17H21FN2O3S — CID 78854014

IUPAC2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22)
InChIKeyIOGJTAPDNHTJJC-UHFFFAOYSA-N
MW352.43 g/mol
LogP0.95
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one

2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one (PubChem CID 78854014) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
PubChem CID78854014
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one
SMILESO=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F
InChIInChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22)
InChIKeyIOGJTAPDNHTJJC-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one 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

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]propanamide
CID 44334432
(S)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(tert-butylthiomethyl)piperazin-2-one
CID 54585464
(3S,7S,8R)-8-(benzylsulfanylmethyl)-7-hydroxy-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
CID 155566247
5-Benzyl-6-oxo-thiomorpholine-3-carboxylic acid [(methyl-phenethyl-carbamoyl)-methyl]-amide
CID 59159383
(2S)-2-amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 10518507
N-[2-(3-fluoro-2-hydroxypropyl)sulfanyl-4-oxoazetidin-3-yl]-2-phenylacetamide
CID 20387813
2-Amino-3-(2-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 21710684
2-Amino-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 21710867
1-[(4-Fluorophenyl)methyl]-6-(2-hydroxyethylsulfanylmethyl)-3-methylpiperazine-2,5-dione
CID 22263664
1-[3-(4-Fluorophenyl)propanoyl]-4-hydroxypiperidine-2-carboxamide
CID 22267651
1-[3-(2-Fluorophenyl)propanoyl]-4-hydroxypiperidine-2-carboxamide
CID 22268028
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(tert-butylsulfanylmethyl)piperazin-2-one
CID 25056007

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one (CID 78854014) is 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one is O=C1NC(C(=O)N2CCC(O)CC2)CSC1Cc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
The InChIKey is IOGJTAPDNHTJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c18-13-4-2-1-3-11(13)9-15-16(22)19-14(10-24-15)17(23)20-7-5-12(21)6-8-20/h1-4,12,14-15,21H,5-10H2,(H,19,22).
What are the key properties of 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one?
2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one has a molecular weight of 352.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-5-(4-hydroxypiperidine-1-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 78854014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).