1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid

C14H17N3O2 — CID 43385952

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C14H17N3O2/c18-14(19)11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9H2,(H,18,19)
InChIKeyKANHECQWVFYSTC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid

1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 43385952) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID43385952
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C14H17N3O2/c18-14(19)11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9H2,(H,18,19)
InChIKeyKANHECQWVFYSTC-UHFFFAOYSA-N
XLogP1.63
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 43355877
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
1-[(1-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 62885515
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
1-[(6-amino-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 18771697
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
(2S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 95173777

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid (CID 43385952) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2cn3ccccc3n2)C1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is KANHECQWVFYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19)11-4-3-6-16(8-11)9-12-10-17-7-2-1-5-13(17)15-12/h1-2,5,7,10-11H,3-4,6,8-9H2,(H,18,19).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43385952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).