ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate

C18H23N3O4 — CID 5307178

IUPACethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C2CCN(C(=O)OCC)CC2)nc2ccccn12
InChIInChI=1S/C18H23N3O4/c1-3-24-17(22)16-15(19-14-7-5-6-10-21(14)16)13-8-11-20(12-9-13)18(23)25-4-2/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3
InChIKeyCWULQBZRHMHOCC-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.85
Rot. Bonds4

About ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate

ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 5307178) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID5307178
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C2CCN(C(=O)OCC)CC2)nc2ccccn12
InChIInChI=1S/C18H23N3O4/c1-3-24-17(22)16-15(19-14-7-5-6-10-21(14)16)13-8-11-20(12-9-13)18(23)25-4-2/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3
InChIKeyCWULQBZRHMHOCC-UHFFFAOYSA-N
XLogP2.85
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate (CID 5307178) is ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C2CCN(C(=O)OCC)CC2)nc2ccccn12.
What is the InChIKey of ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is CWULQBZRHMHOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-24-17(22)16-15(19-14-7-5-6-10-21(14)16)13-8-11-20(12-9-13)18(23)25-4-2/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethoxycarbonylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 5307178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).