2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine

C18H25N5O2 — CID 133453081

IUPAC2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
SMILESCc1nccn1-c1cncc(N2CCC(OCC3CCOC3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-14-20-5-8-23(14)18-11-19-10-17(21-18)22-6-2-16(3-7-22)25-13-15-4-9-24-12-15/h5,8,10-11,15-16H,2-4,6-7,9,12-13H2,1H3
InChIKeyXLEHPEKOJLSHDW-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.99
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine

2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine (PubChem CID 133453081) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
PubChem CID133453081
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
SMILESCc1nccn1-c1cncc(N2CCC(OCC3CCOC3)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-14-20-5-8-23(14)18-11-19-10-17(21-18)22-6-2-16(3-7-22)25-13-15-4-9-24-12-15/h5,8,10-11,15-16H,2-4,6-7,9,12-13H2,1H3
InChIKeyXLEHPEKOJLSHDW-UHFFFAOYSA-N
XLogP1.99
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine?
The IUPAC name of 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine (CID 133453081) is 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine is Cc1nccn1-c1cncc(N2CCC(OCC3CCOC3)CC2)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine?
The InChIKey is XLEHPEKOJLSHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-20-5-8-23(14)18-11-19-10-17(21-18)22-6-2-16(3-7-22)25-13-15-4-9-24-12-15/h5,8,10-11,15-16H,2-4,6-7,9,12-13H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine?
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine has a molecular weight of 343.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine is sourced from PubChem (CID 133453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).