4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile

C17H18N4O2 — CID 167837684

IUPAC4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESCOc1nccnc1N1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H18N4O2/c1-22-17-16(19-8-9-20-17)21-10-6-15(7-11-21)23-14-4-2-13(12-18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3
InChIKeyDACKVGASNGZLBE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.40
Rot. Bonds4

About 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile

4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile (PubChem CID 167837684) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile
PubChem CID167837684
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile
SMILESCOc1nccnc1N1CCC(Oc2ccc(C#N)cc2)CC1
InChIInChI=1S/C17H18N4O2/c1-22-17-16(19-8-9-20-17)21-10-6-15(7-11-21)23-14-4-2-13(12-18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3
InChIKeyDACKVGASNGZLBE-UHFFFAOYSA-N
XLogP2.40
TPSA71.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile (CID 167837684) is 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile is COc1nccnc1N1CCC(Oc2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile?
The InChIKey is DACKVGASNGZLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-22-17-16(19-8-9-20-17)21-10-6-15(7-11-21)23-14-4-2-13(12-18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3.
What are the key properties of 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile?
4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypyrazin-2-yl)piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 167837684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).