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

C15H18N6O2 — CID 53185540

IUPAC[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H18N6O2/c1-23-14-13(18-6-7-19-14)20-11-2-8-21(9-3-11)15(22)12-10-16-4-5-17-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyIEBAVJBRWAXWBF-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.99
Rot. Bonds4

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

[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 53185540) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID53185540
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C15H18N6O2/c1-23-14-13(18-6-7-19-14)20-11-2-8-21(9-3-11)15(22)12-10-16-4-5-17-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyIEBAVJBRWAXWBF-UHFFFAOYSA-N
XLogP0.99
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 53185540) is [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is COc1nccnc1NC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is IEBAVJBRWAXWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-23-14-13(18-6-7-19-14)20-11-2-8-21(9-3-11)15(22)12-10-16-4-5-17-12/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 314.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxypyrazin-2-yl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 53185540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).