2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine

C17H23N5O — CID 110250111

IUPAC2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine
SMILESc1cn(-c2nccnc2C2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H23N5O/c1-2-14(12-21(8-1)15-3-10-23-11-4-15)16-17(20-6-5-19-16)22-9-7-18-13-22/h5-7,9,13-15H,1-4,8,10-12H2
InChIKeyYQPVETOZJFUQBO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.02
Rot. Bonds3

About 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine

2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine (PubChem CID 110250111) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine
PubChem CID110250111
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine
SMILESc1cn(-c2nccnc2C2CCCN(C3CCOCC3)C2)cn1
InChIInChI=1S/C17H23N5O/c1-2-14(12-21(8-1)15-3-10-23-11-4-15)16-17(20-6-5-19-16)22-9-7-18-13-22/h5-7,9,13-15H,1-4,8,10-12H2
InChIKeyYQPVETOZJFUQBO-UHFFFAOYSA-N
XLogP2.02
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine?
The IUPAC name of 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine (CID 110250111) is 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine?
The canonical SMILES for 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine is c1cn(-c2nccnc2C2CCCN(C3CCOCC3)C2)cn1.
What is the InChIKey of 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine?
The InChIKey is YQPVETOZJFUQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-14(12-21(8-1)15-3-10-23-11-4-15)16-17(20-6-5-19-16)22-9-7-18-13-22/h5-7,9,13-15H,1-4,8,10-12H2.
What are the key properties of 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine?
2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine has a molecular weight of 313.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-3-[1-(oxan-4-yl)piperidin-3-yl]pyrazine is sourced from PubChem (CID 110250111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).