[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C16H20N6O2 — CID 87052991

IUPAC[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C16H20N6O2/c1-2-24-15-14(19-7-8-20-15)21-12-3-9-22(10-4-12)16(23)13-11-17-5-6-18-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyLTKFKHHCFWPQHH-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.38
Rot. Bonds5

About [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87052991) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87052991
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C16H20N6O2/c1-2-24-15-14(19-7-8-20-15)21-12-3-9-22(10-4-12)16(23)13-11-17-5-6-18-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,21)
InChIKeyLTKFKHHCFWPQHH-UHFFFAOYSA-N
XLogP1.38
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 87052991) is [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is CCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is LTKFKHHCFWPQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-2-24-15-14(19-7-8-20-15)21-12-3-9-22(10-4-12)16(23)13-11-17-5-6-18-13/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,21).
What are the key properties of [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87052991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).