2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone

C14H22N4O3 — CID 53185544

IUPAC2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-12(19)18-8-4-11(5-9-18)17-13-14(20-2)16-7-6-15-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyNYEMIKYZERXMLP-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.92
Rot. Bonds6

About 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 53185544) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID53185544
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Nc2nccnc2OC)CC1
InChIInChI=1S/C14H22N4O3/c1-3-21-10-12(19)18-8-4-11(5-9-18)17-13-14(20-2)16-7-6-15-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyNYEMIKYZERXMLP-UHFFFAOYSA-N
XLogP0.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone (CID 53185544) is 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(Nc2nccnc2OC)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is NYEMIKYZERXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-10-12(19)18-8-4-11(5-9-18)17-13-14(20-2)16-7-6-15-13/h6-7,11H,3-5,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 294.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 53185544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).