ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate

C14H20N4O2 — CID 163668136

IUPACethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)C1=CN2C=C(C3CCNCC3)N=CC2N1
InChIInChI=1S/C14H20N4O2/c1-2-20-14(19)12-9-18-8-11(16-7-13(18)17-12)10-3-5-15-6-4-10/h7-10,13,15,17H,2-6H2,1H3
InChIKeyJAFOCHCWUWIBJP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.55
Rot. Bonds3

About ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate

ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 163668136) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID163668136
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)C1=CN2C=C(C3CCNCC3)N=CC2N1
InChIInChI=1S/C14H20N4O2/c1-2-20-14(19)12-9-18-8-11(16-7-13(18)17-12)10-3-5-15-6-4-10/h7-10,13,15,17H,2-6H2,1H3
InChIKeyJAFOCHCWUWIBJP-UHFFFAOYSA-N
XLogP0.55
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
ethyl 1-amino-3-piperidin-4-ylpyrrole-2-carboxylate
CID 177238268
ethyl 2-(piperidin-4-ylmethoxy)pyridine-3-carboxylate
CID 62348531
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 140688887
ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate
CID 94063595
ethyl 2-oxo-2-(4-piperidin-4-ylphenyl)acetate
CID 117407560
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
CID 54593650
ethyl 6-(piperidin-4-ylamino)pyridine-3-carboxylate
CID 22566555
ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
CID 165350016
ethyl 4-(difluoromethyl)-3-pyrrolidin-3-ylbenzoate
CID 170733764
ethyl 4-[[4,6-di(pyrrolidin-3-yl)-1,3,5-triazin-2-yl]amino]benzoate
CID 171851265
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710

Frequently Asked Questions

What is the IUPAC name of ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate (CID 163668136) is ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)C1=CN2C=C(C3CCNCC3)N=CC2N1.
What is the InChIKey of ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is JAFOCHCWUWIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-20-14(19)12-9-18-8-11(16-7-13(18)17-12)10-3-5-15-6-4-10/h7-10,13,15,17H,2-6H2,1H3.
What are the key properties of ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-piperidin-4-yl-1,8a-dihydroimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 163668136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).