[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone

C20H25N3O2 — CID 154862545

IUPAC[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
SMILESCC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3
InChIKeyAXNKXPVXKHRNPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.61
Rot. Bonds6

About [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone

[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone (PubChem CID 154862545) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
PubChem CID154862545
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone
SMILESCC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3
InChIKeyAXNKXPVXKHRNPV-UHFFFAOYSA-N
XLogP3.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone (CID 154862545) is [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone is CC(C)COc1cncc(N2CCC(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
The InChIKey is AXNKXPVXKHRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)14-25-19-13-21-12-18(22-19)23-10-8-17(9-11-23)20(24)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3.
What are the key properties of [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone?
[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone has a molecular weight of 339.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 154862545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).