ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate

C14H17ClN4O2 — CID 20814355

IUPACethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2cn3ccnc3c(Cl)n2)C1
InChIInChI=1S/C14H17ClN4O2/c1-2-21-14(20)19-6-3-4-10(8-19)11-9-18-7-5-16-13(18)12(15)17-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyORMSMOUNJGBCJE-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.72
Rot. Bonds2

About ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate

ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate (PubChem CID 20814355) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
PubChem CID20814355
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Nameethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(c2cn3ccnc3c(Cl)n2)C1
InChIInChI=1S/C14H17ClN4O2/c1-2-21-14(20)19-6-3-4-10(8-19)11-9-18-7-5-16-13(18)12(15)17-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyORMSMOUNJGBCJE-UHFFFAOYSA-N
XLogP2.72
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate (CID 20814355) is ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate is CCOC(=O)N1CCCC(c2cn3ccnc3c(Cl)n2)C1.
What is the InChIKey of ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
The InChIKey is ORMSMOUNJGBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-21-14(20)19-6-3-4-10(8-19)11-9-18-7-5-16-13(18)12(15)17-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate?
ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(8-chloroimidazo[1,2-a]pyrazin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 20814355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).