2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine

C20H26N4O2 — CID 58548042

IUPAC2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine
SMILESCc1ccnc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-15-2-7-21-18(14-15)24-10-3-17(4-11-24)26-20-19(22-8-9-23-20)16-5-12-25-13-6-16/h2,7-9,14,16-17H,3-6,10-13H2,1H3
InChIKeyBOHZXFOCNSNFEV-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine

2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine (PubChem CID 58548042) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine.

Molecular Properties

Compound Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine
PubChem CID58548042
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine
SMILESCc1ccnc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-15-2-7-21-18(14-15)24-10-3-17(4-11-24)26-20-19(22-8-9-23-20)16-5-12-25-13-6-16/h2,7-9,14,16-17H,3-6,10-13H2,1H3
InChIKeyBOHZXFOCNSNFEV-UHFFFAOYSA-N
XLogP3.12
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine?
The IUPAC name of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine (CID 58548042) is 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine.
What is the SMILES notation for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine?
The canonical SMILES for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine is Cc1ccnc(N2CCC(Oc3nccnc3C3CCOCC3)CC2)c1.
What is the InChIKey of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine?
The InChIKey is BOHZXFOCNSNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-2-7-21-18(14-15)24-10-3-17(4-11-24)26-20-19(22-8-9-23-20)16-5-12-25-13-6-16/h2,7-9,14,16-17H,3-6,10-13H2,1H3.
What are the key properties of 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine?
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine has a molecular weight of 354.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyrazine is sourced from PubChem (CID 58548042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).