1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one

C17H20N4O2 — CID 95843665

IUPAC1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1
InChIInChI=1S/C17H20N4O2/c1-2-17(22)21-8-5-13(6-9-21)15-11-19-12-16(20-15)23-14-4-3-7-18-10-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3
InChIKeyLFOOSYPLVALPHH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds4

About 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one

1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95843665) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95843665
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1
InChIInChI=1S/C17H20N4O2/c1-2-17(22)21-8-5-13(6-9-21)15-11-19-12-16(20-15)23-14-4-3-7-18-10-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3
InChIKeyLFOOSYPLVALPHH-UHFFFAOYSA-N
XLogP2.78
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one (CID 95843665) is 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1.
What is the InChIKey of 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LFOOSYPLVALPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-17(22)21-8-5-13(6-9-21)15-11-19-12-16(20-15)23-14-4-3-7-18-10-14/h3-4,7,10-13H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one?
1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 312.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-pyridin-3-yloxypyrazin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95843665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).