2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine

C19H21N5O — CID 71857386

IUPAC2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
SMILESc1ccc(COc2cncc(N3CCC(n4ccnc4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-16(5-3-1)14-25-19-13-21-12-18(22-19)23-9-6-17(7-10-23)24-11-8-20-15-24/h1-5,8,11-13,15,17H,6-7,9-10,14H2
InChIKeyLIWSTTNZLBNSPC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds5

About 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine

2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine (PubChem CID 71857386) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine.

Molecular Properties

Compound Name2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
PubChem CID71857386
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine
SMILESc1ccc(COc2cncc(N3CCC(n4ccnc4)CC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-16(5-3-1)14-25-19-13-21-12-18(22-19)23-9-6-17(7-10-23)24-11-8-20-15-24/h1-5,8,11-13,15,17H,6-7,9-10,14H2
InChIKeyLIWSTTNZLBNSPC-UHFFFAOYSA-N
XLogP3.09
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine?
The IUPAC name of 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine (CID 71857386) is 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine.
What is the SMILES notation for 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine?
The canonical SMILES for 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine is c1ccc(COc2cncc(N3CCC(n4ccnc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine?
The InChIKey is LIWSTTNZLBNSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-4-16(5-3-1)14-25-19-13-21-12-18(22-19)23-9-6-17(7-10-23)24-11-8-20-15-24/h1-5,8,11-13,15,17H,6-7,9-10,14H2.
What are the key properties of 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine?
2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine has a molecular weight of 335.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylpiperidin-1-yl)-6-phenylmethoxypyrazine is sourced from PubChem (CID 71857386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).