(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid

C21H21N3O4 — CID 163309435

IUPAC(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2)CN(c2noc(-c3ccccc3)n2)CC[C@H]1O
InChIInChI=1S/C21H21N3O4/c25-17-11-12-24(20-22-18(28-23-20)16-9-5-2-6-10-16)14-21(17,19(26)27)13-15-7-3-1-4-8-15/h1-10,17,25H,11-14H2,(H,26,27)/t17-,21-/m1/s1
InChIKeyMSUCLUJWGXUKPK-DYESRHJHSA-N
MW379.42 g/mol
LogP2.62
Rot. Bonds5

About (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid

(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid (PubChem CID 163309435) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
PubChem CID163309435
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(Cc2ccccc2)CN(c2noc(-c3ccccc3)n2)CC[C@H]1O
InChIInChI=1S/C21H21N3O4/c25-17-11-12-24(20-22-18(28-23-20)16-9-5-2-6-10-16)14-21(17,19(26)27)13-15-7-3-1-4-8-15/h1-10,17,25H,11-14H2,(H,26,27)/t17-,21-/m1/s1
InChIKeyMSUCLUJWGXUKPK-DYESRHJHSA-N
XLogP2.62
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid 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

(3R,4R)-1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-4-hydroxy-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 162635464
[(3R)-3-benzyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]methanol
CID 95223927
(3S,4S)-3-benzyl-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-hydroxypiperidine-3-carboxylic acid
CID 138385100
(3R,4R)-3-benzyl-4-hydroxy-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 163315573
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
(3R,4S)-3-benzyl-4-hydroxy-1-(3-methylsulfanylpropyl)piperidine-3-carboxylic acid
CID 164698577
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 133481703
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
(3R,4S)-3-benzyl-4-hydroxy-1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 164688644
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid (CID 163309435) is (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid is O=C(O)[C@]1(Cc2ccccc2)CN(c2noc(-c3ccccc3)n2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid?
The InChIKey is MSUCLUJWGXUKPK-DYESRHJHSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-17-11-12-24(20-22-18(28-23-20)16-9-5-2-6-10-16)14-21(17,19(26)27)13-15-7-3-1-4-8-15/h1-10,17,25H,11-14H2,(H,26,27)/t17-,21-/m1/s1.
What are the key properties of (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid?
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 163309435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).