(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid

C22H25N3O3 — CID 135112538

IUPAC(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc2nc(CN3CC[C@](Cc4ccccc4)(C(=O)O)[C@@H](O)C3)cn2c1
InChIInChI=1S/C22H25N3O3/c1-16-7-8-20-23-18(14-25(20)12-16)13-24-10-9-22(21(27)28,19(26)15-24)11-17-5-3-2-4-6-17/h2-8,12,14,19,26H,9-11,13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyLBCZEHOKZKBZSF-SIKLNZKXSA-N
MW379.46 g/mol
LogP2.52
Rot. Bonds5

About (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid

(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 135112538) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID135112538
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc2nc(CN3CC[C@](Cc4ccccc4)(C(=O)O)[C@@H](O)C3)cn2c1
InChIInChI=1S/C22H25N3O3/c1-16-7-8-20-23-18(14-25(20)12-16)13-24-10-9-22(21(27)28,19(26)15-24)11-17-5-3-2-4-6-17/h2-8,12,14,19,26H,9-11,13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1
InChIKeyLBCZEHOKZKBZSF-SIKLNZKXSA-N
XLogP2.52
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]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-[(2-methylpyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
CID 135103409
(3S,4S)-4-benzyl-1-[(5-ethyl-2-pyridinyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113665
(3S,4S)-4-benzyl-1-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113654
4-methyl-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-ol
CID 103897964
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
methyl (3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-3-carboxylate
CID 79037670
(3S,4S)-4-benzyl-1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135112366
(1R,2S,3R,4R)-1-(hydroxymethyl)-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-phenyl-6-azaspiro[2.4]heptan-4-ol
CID 155509117
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111969522
(3S,4S)-4-benzyl-3-hydroxy-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 155918422
(3S)-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119933721
(3S,4S)-4-benzyl-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 162629508

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid (CID 135112538) is (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid is Cc1ccc2nc(CN3CC[C@](Cc4ccccc4)(C(=O)O)[C@@H](O)C3)cn2c1.
What is the InChIKey of (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is LBCZEHOKZKBZSF-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-7-8-20-23-18(14-25(20)12-16)13-24-10-9-22(21(27)28,19(26)15-24)11-17-5-3-2-4-6-17/h2-8,12,14,19,26H,9-11,13,15H2,1H3,(H,27,28)/t19-,22+/m0/s1.
What are the key properties of (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid?
(3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-benzyl-3-hydroxy-1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 135112538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).