(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid

C18H19N3O5 — CID 157012893

IUPAC(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1ncc[nH]c1=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C18H19N3O5/c22-13-6-9-21(16(24)14-15(23)20-8-7-19-14)11-18(13,17(25)26)10-12-4-2-1-3-5-12/h1-5,7-8,13,22H,6,9-11H2,(H,20,23)(H,25,26)/t13-,18-/m1/s1
InChIKeyBTCFLNLYBFTYMU-FZKQIMNGSA-N
MW357.37 g/mol
LogP0.29
Rot. Bonds4

About (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid

(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 157012893) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID157012893
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(c1ncc[nH]c1=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1
InChIInChI=1S/C18H19N3O5/c22-13-6-9-21(16(24)14-15(23)20-8-7-19-14)11-18(13,17(25)26)10-12-4-2-1-3-5-12/h1-5,7-8,13,22H,6,9-11H2,(H,20,23)(H,25,26)/t13-,18-/m1/s1
InChIKeyBTCFLNLYBFTYMU-FZKQIMNGSA-N
XLogP0.29
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)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)-3-benzyl-4-hydroxy-1-(1H-imidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 165428792
(3R,4S)-3-benzyl-4-hydroxy-1-(1H-indole-5-carbonyl)piperidine-3-carboxylic acid
CID 164699959
(3R,4R)-3-benzyl-1-(4-chloro-1-methylpyrazole-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 165425412
(3R,4S)-3-benzyl-4-hydroxy-1-(quinoline-5-carbonyl)piperidine-3-carboxylic acid
CID 164696101
(3R,4S)-3-benzyl-4-hydroxy-1-[4-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxylic acid
CID 166614264
(3R,4S)-3-benzyl-4-hydroxy-1-[4-(2-methylpropyl)benzoyl]piperidine-3-carboxylic acid
CID 164689684
(3R,4S)-3-benzyl-4-hydroxy-1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 164688644
(3R,4R)-3-benzyl-4-hydroxy-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 163318555
(3R,4R)-3-benzyl-4-hydroxy-1-(3-methoxy-4-methylbenzoyl)piperidine-3-carboxylic acid
CID 163312108
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 164696381
(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 166617407
(3R,4S)-3-benzyl-1-(2,6-dimethoxypyridine-3-carbonyl)-4-hydroxypiperidine-3-carboxylic acid
CID 164699824

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid (CID 157012893) is (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid is O=C(c1ncc[nH]c1=O)N1CC[C@@H](O)[C@](Cc2ccccc2)(C(=O)O)C1.
What is the InChIKey of (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is BTCFLNLYBFTYMU-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-13-6-9-21(16(24)14-15(23)20-8-7-19-14)11-18(13,17(25)26)10-12-4-2-1-3-5-12/h1-5,7-8,13,22H,6,9-11H2,(H,20,23)(H,25,26)/t13-,18-/m1/s1.
What are the key properties of (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid?
(3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-benzyl-4-hydroxy-1-(2-oxo-1H-pyrazine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 157012893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).