[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol

C20H21N3O4S — CID 126798770

IUPAC[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C20H21N3O4S/c24-13-17-12-23(10-9-19(17)15-5-2-1-3-6-15)28(25,26)18-8-4-7-16(11-18)20-22-21-14-27-20/h1-8,11,14,17,19,24H,9-10,12-13H2/t17-,19+/m1/s1
InChIKeyZTHPYTZKIJMICX-MJGOQNOKSA-N
MW399.47 g/mol
LogP2.52
Rot. Bonds5

About [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol

[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol (PubChem CID 126798770) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol
PubChem CID126798770
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1cccc(-c2nnco2)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1
InChIInChI=1S/C20H21N3O4S/c24-13-17-12-23(10-9-19(17)15-5-2-1-3-6-15)28(25,26)18-8-4-7-16(11-18)20-22-21-14-27-20/h1-8,11,14,17,19,24H,9-10,12-13H2/t17-,19+/m1/s1
InChIKeyZTHPYTZKIJMICX-MJGOQNOKSA-N
XLogP2.52
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol 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

2-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 2408760
2-[3-[[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]sulfonyl]phenyl]-1,3,4-oxadiazole
CID 124726979
[(3R,4R)-1-(oxan-4-ylsulfonyl)-4-phenylpiperidin-3-yl]methanol
CID 167809818
(2R)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-2-phenylbutanamide
CID 97025860
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
[(3R,4R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoropiperidin-4-yl]methanol
CID 169128286
[(3R,4R)-1-(3-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine
CID 120765692
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
1-[3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 120766000
3-[(3S)-3-methylpyrrolidin-1-yl]sulfonylbenzoic acid
CID 167493964
[(3R,4R)-1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72886667
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-2-piperidin-1-ylsulfonylbenzamide
CID 78850471

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol (CID 126798770) is [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol is O=S(=O)(c1cccc(-c2nnco2)c1)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1.
What is the InChIKey of [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol?
The InChIKey is ZTHPYTZKIJMICX-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-13-17-12-23(10-9-19(17)15-5-2-1-3-6-15)28(25,26)18-8-4-7-16(11-18)20-22-21-14-27-20/h1-8,11,14,17,19,24H,9-10,12-13H2/t17-,19+/m1/s1.
What are the key properties of [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol?
[(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol has a molecular weight of 399.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[3-(1,3,4-oxadiazol-2-yl)phenyl]sulfonyl-4-phenylpiperidin-3-yl]methanol is sourced from PubChem (CID 126798770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).