(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid

C20H25FN2O4 — CID 164690019

IUPAC(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)c1cc(CN2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)on1
InChIInChI=1S/C20H25FN2O4/c1-13(2)17-9-16(27-22-17)11-23-7-6-18(24)20(12-23,19(25)26)10-14-4-3-5-15(21)8-14/h3-5,8-9,13,18,24H,6-7,10-12H2,1-2H3,(H,25,26)/t18-,20-/m1/s1
InChIKeyBFJFZOVMSJVPBQ-UYAOXDASSA-N
MW376.43 g/mol
LogP2.82
Rot. Bonds6

About (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid

(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 164690019) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
PubChem CID164690019
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Name(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid
SMILESCC(C)c1cc(CN2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)on1
InChIInChI=1S/C20H25FN2O4/c1-13(2)17-9-16(27-22-17)11-23-7-6-18(24)20(12-23,19(25)26)10-14-4-3-5-15(21)8-14/h3-5,8-9,13,18,24H,6-7,10-12H2,1-2H3,(H,25,26)/t18-,20-/m1/s1
InChIKeyBFJFZOVMSJVPBQ-UYAOXDASSA-N
XLogP2.82
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(3-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164698609
(3R,4R)-3-benzyl-4-hydroxy-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 163315573
(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 164695568
(3R,4S)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-(2-methyl-2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 164694461
(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylic acid;formic acid
CID 171316833
(3R,4S)-1-[(2-chloro-3-hydroxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 164689679
(3S,4S)-3-benzyl-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135092771
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 164689840
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 164689332
(3R,4R)-4-hydroxy-3-[(3-methoxyphenyl)methyl]-1-[(2-methoxy-4-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 164695836
(3R,4R)-1-[(4-chloro-2-fluorophenyl)methyl]-4-hydroxy-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 164689789
(3R,4R)-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-4-hydroxy-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 164696807

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid (CID 164690019) is (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid is CC(C)c1cc(CN2CC[C@@H](O)[C@](Cc3cccc(F)c3)(C(=O)O)C2)on1.
What is the InChIKey of (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is BFJFZOVMSJVPBQ-UYAOXDASSA-N. The full InChI is InChI=1S/C20H25FN2O4/c1-13(2)17-9-16(27-22-17)11-23-7-6-18(24)20(12-23,19(25)26)10-14-4-3-5-15(21)8-14/h3-5,8-9,13,18,24H,6-7,10-12H2,1-2H3,(H,25,26)/t18-,20-/m1/s1.
What are the key properties of (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid?
(3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 376.43 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(3-fluorophenyl)methyl]-4-hydroxy-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 164690019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).