(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid

C18H22N4O3 — CID 165425488

IUPAC(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1nccnc1N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1
InChIInChI=1S/C18H22N4O3/c1-19-15-16(21-9-8-20-15)22-10-7-18(17(24)25,14(23)12-22)11-13-5-3-2-4-6-13/h2-6,8-9,14,23H,7,10-12H2,1H3,(H,19,20)(H,24,25)/t14-,18-/m1/s1
InChIKeyUGAFLWVZGYJMIK-RDTXWAMCSA-N
MW342.40 g/mol
LogP1.40
Rot. Bonds5

About (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid

(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 165425488) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid
PubChem CID165425488
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESCNc1nccnc1N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1
InChIInChI=1S/C18H22N4O3/c1-19-15-16(21-9-8-20-15)22-10-7-18(17(24)25,14(23)12-22)11-13-5-3-2-4-6-13/h2-6,8-9,14,23H,7,10-12H2,1H3,(H,19,20)(H,24,25)/t14-,18-/m1/s1
InChIKeyUGAFLWVZGYJMIK-RDTXWAMCSA-N
XLogP1.40
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-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,4S)-4-benzyl-3-hydroxy-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 166620081
(3S,4S)-4-benzyl-3-hydroxy-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidine-4-carboxylic acid
CID 135094629
(3S,4S)-4-benzyl-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162629508
(3R,4S)-4-benzyl-3-hydroxy-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
CID 135103409
(3S,4S)-4-benzyl-3-hydroxy-1-(3-hydroxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 164690311
(3S,4S)-4-benzyl-1-[(5-ethyl-2-pyridinyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113665
(3R,4S)-1-[3-(dimethylamino)pyrazin-2-yl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135109265
(3R,4S)-4-benzyl-3-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboxylic acid
CID 135111794
(3R,4S)-4-benzyl-1-(cyclopent-3-ene-1-carbonyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135108076
(3R,4S)-4-benzyl-3-hydroxy-1-[3-(1-methylcyclopropyl)propanoyl]piperidine-4-carboxylic acid
CID 135118739
(3R,4S)-4-benzyl-3-hydroxy-1-(2-methylpropylsulfonyl)piperidine-4-carboxylic acid
CID 137337724
(3S,4S)-4-benzyl-3-hydroxy-1-(3-pyridin-3-ylpropanoyl)piperidine-4-carboxylic acid
CID 155917579

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid (CID 165425488) is (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid is CNc1nccnc1N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1.
What is the InChIKey of (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is UGAFLWVZGYJMIK-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19-15-16(21-9-8-20-15)22-10-7-18(17(24)25,14(23)12-22)11-13-5-3-2-4-6-13/h2-6,8-9,14,23H,7,10-12H2,1H3,(H,19,20)(H,24,25)/t14-,18-/m1/s1.
What are the key properties of (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid?
(3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-benzyl-3-hydroxy-1-[3-(methylamino)pyrazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 165425488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).