ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate

C16H21N3O2 — CID 4701917

IUPACethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-5-8-18(10-13)11-14-12-19-9-4-3-7-15(19)17-14/h3-4,7,9,12-13H,2,5-6,8,10-11H2,1H3
InChIKeyPFVYQSFBEZTMDT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.11
Rot. Bonds4

About ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate

ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate (PubChem CID 4701917) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate
PubChem CID4701917
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cn3ccccc3n2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-5-8-18(10-13)11-14-12-19-9-4-3-7-15(19)17-14/h3-4,7,9,12-13H,2,5-6,8,10-11H2,1H3
InChIKeyPFVYQSFBEZTMDT-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate (CID 4701917) is ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cn3ccccc3n2)C1.
What is the InChIKey of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate?
The InChIKey is PFVYQSFBEZTMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-16(20)13-6-5-8-18(10-13)11-14-12-19-9-4-3-7-15(19)17-14/h3-4,7,9,12-13H,2,5-6,8,10-11H2,1H3.
What are the key properties of ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylate?
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-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-3-carboxylate is sourced from PubChem (CID 4701917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).