ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate

C16H21N3O2 — CID 53171810

IUPACethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-9-18(10-7-13)11-14-12-19-8-4-3-5-15(19)17-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3
InChIKeySIPYCKGEZISHDJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.11
Rot. Bonds4

About ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate

ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate (PubChem CID 53171810) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
PubChem CID53171810
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-9-18(10-7-13)11-14-12-19-8-4-3-5-15(19)17-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3
InChIKeySIPYCKGEZISHDJ-UHFFFAOYSA-N
XLogP2.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
ethyl 1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-4-carboxylate
CID 87051265
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
ethyl 1-[(1-cyanoindolizin-2-yl)methyl]piperidine-4-carboxylate
CID 51322364
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86915606
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate (CID 53171810) is ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate?
The InChIKey is SIPYCKGEZISHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-9-18(10-7-13)11-14-12-19-8-4-3-5-15(19)17-14/h3-5,8,12-13H,2,6-7,9-11H2,1H3.
What are the key properties of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate?
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate is sourced from PubChem (CID 53171810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).