3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C15H14N6O2 — CID 91628061

IUPAC3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C15H14N6O2/c16-9-12-14(20-7-6-17-12)23-11-3-1-8-21(10-11)15(22)13-18-4-2-5-19-13/h2,4-7,11H,1,3,8,10H2
InChIKeyDTPJYJXAFKWZPY-UHFFFAOYSA-N
MW310.32 g/mol
LogP0.82
Rot. Bonds3

About 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 91628061) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID91628061
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1nccnc1OC1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C15H14N6O2/c16-9-12-14(20-7-6-17-12)23-11-3-1-8-21(10-11)15(22)13-18-4-2-5-19-13/h2,4-7,11H,1,3,8,10H2
InChIKeyDTPJYJXAFKWZPY-UHFFFAOYSA-N
XLogP0.82
TPSA104.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 91628061) is 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1nccnc1OC1CCCN(C(=O)c2ncccn2)C1.
What is the InChIKey of 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is DTPJYJXAFKWZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c16-9-12-14(20-7-6-17-12)23-11-3-1-8-21(10-11)15(22)13-18-4-2-5-19-13/h2,4-7,11H,1,3,8,10H2.
What are the key properties of 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 310.32 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyrimidine-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 91628061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).