ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate

C13H24N2O2 — CID 22252333

IUPACethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCN1CCN2CCCCC2C1
InChIInChI=1S/C13H24N2O2/c1-2-17-13(16)6-8-14-9-10-15-7-4-3-5-12(15)11-14/h12H,2-11H2,1H3
InChIKeyXVSFUWGNBLORAU-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds4

About ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate

ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate (PubChem CID 22252333) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
PubChem CID22252333
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nameethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate
SMILESCCOC(=O)CCN1CCN2CCCCC2C1
InChIInChI=1S/C13H24N2O2/c1-2-17-13(16)6-8-14-9-10-15-7-4-3-5-12(15)11-14/h12H,2-11H2,1H3
InChIKeyXVSFUWGNBLORAU-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The IUPAC name of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate (CID 22252333) is ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate is CCOC(=O)CCN1CCN2CCCCC2C1.
What is the InChIKey of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
The InChIKey is XVSFUWGNBLORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-13(16)6-8-14-9-10-15-7-4-3-5-12(15)11-14/h12H,2-11H2,1H3.
What are the key properties of ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate?
ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate has a molecular weight of 240.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propanoate is sourced from PubChem (CID 22252333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).