5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

C14H17N3O3 — CID 154436500

IUPAC5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2c(CN3CCC(O)CC3)cccc2n1
InChIInChI=1S/C14H17N3O3/c18-11-4-6-16(7-5-11)8-10-2-1-3-13-15-12(14(19)20)9-17(10)13/h1-3,9,11,18H,4-8H2,(H,19,20)
InChIKeyDYPPJNLXRXAMGG-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.99
Rot. Bonds3

About 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid

5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 154436500) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID154436500
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2c(CN3CCC(O)CC3)cccc2n1
InChIInChI=1S/C14H17N3O3/c18-11-4-6-16(7-5-11)8-10-2-1-3-13-15-12(14(19)20)9-17(10)13/h1-3,9,11,18H,4-8H2,(H,19,20)
InChIKeyDYPPJNLXRXAMGG-UHFFFAOYSA-N
XLogP0.99
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
5-ethoxycarbonylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 155820424
N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 121498184
9-fluoroimidazo[1,2-a]quinoline-2-carboxylic acid
CID 115037584
5-[4-[(5-methyl-6-pyrrolidin-2-yl-3-pyridinyl)methyl]piperazin-1-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 146215063
2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 39147001
2-[2-[4-(2-methoxyethyl)piperidine-1-carbonyl]imidazo[1,2-a]pyridin-5-yl]acetamide
CID 123639867

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 154436500) is 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2c(CN3CCC(O)CC3)cccc2n1.
What is the InChIKey of 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is DYPPJNLXRXAMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-11-4-6-16(7-5-11)8-10-2-1-3-13-15-12(14(19)20)9-17(10)13/h1-3,9,11,18H,4-8H2,(H,19,20).
What are the key properties of 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid?
5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 154436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).