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

C14H17N3O2 — CID 68938043

IUPAC(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O2/c18-14(19)17-8-4-1-5-12(17)9-11-10-16-7-3-2-6-13(16)15-11/h2-3,6-7,10,12H,1,4-5,8-9H2,(H,18,19)/t12-/m0/s1
InChIKeyMZJZWANJZWHZGV-LBPRGKRZSA-N
MW259.31 g/mol
LogP2.41
Rot. Bonds2

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

(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 68938043) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
PubChem CID68938043
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC[C@H]1Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O2/c18-14(19)17-8-4-1-5-12(17)9-11-10-16-7-3-2-6-13(16)15-11/h2-3,6-7,10,12H,1,4-5,8-9H2,(H,18,19)/t12-/m0/s1
InChIKeyMZJZWANJZWHZGV-LBPRGKRZSA-N
XLogP2.41
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603187
1-cyclopropyl-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 79417170
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 62468965
(2S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 95173777
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
CID 77259439
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 92817222
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
1-[4-(imidazo[1,2-a]pyridin-2-ylmethylamino)piperidin-1-yl]ethanone
CID 60664512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid (CID 68938043) is (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCCC[C@H]1Cc1cn2ccccc2n1.
What is the InChIKey of (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is MZJZWANJZWHZGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14(19)17-8-4-1-5-12(17)9-11-10-16-7-3-2-6-13(16)15-11/h2-3,6-7,10,12H,1,4-5,8-9H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid?
(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).