ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate

C16H20FN3O2 — CID 53171819

IUPACethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-22-16(21)12-5-7-19(8-6-12)10-14-11-20-9-13(17)3-4-15(20)18-14/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyQNEZQOFCAHJWEI-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.25
Rot. Bonds4

About ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate (PubChem CID 53171819) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate
PubChem CID53171819
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Nameethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cn3cc(F)ccc3n2)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-22-16(21)12-5-7-19(8-6-12)10-14-11-20-9-13(17)3-4-15(20)18-14/h3-4,9,11-12H,2,5-8,10H2,1H3
InChIKeyQNEZQOFCAHJWEI-UHFFFAOYSA-N
XLogP2.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate (CID 53171819) is ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cn3cc(F)ccc3n2)CC1.
What is the InChIKey of ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate?
The InChIKey is QNEZQOFCAHJWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-22-16(21)12-5-7-19(8-6-12)10-14-11-20-9-13(17)3-4-15(20)18-14/h3-4,9,11-12H,2,5-8,10H2,1H3.
What are the key properties of ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate has a molecular weight of 305.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 53171819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).