(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone

C17H19N3O2 — CID 3778135

IUPAC(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-3-11-20(13)17(21)14-5-7-15(8-6-14)22-16-12-18-9-10-19-16/h5-10,12-13H,2-4,11H2,1H3
InChIKeyICENAWXJSMHQKQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.28
Rot. Bonds3

About (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone

(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone (PubChem CID 3778135) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone
PubChem CID3778135
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Oc2cnccn2)cc1
InChIInChI=1S/C17H19N3O2/c1-13-4-2-3-11-20(13)17(21)14-5-7-15(8-6-14)22-16-12-18-9-10-19-16/h5-10,12-13H,2-4,11H2,1H3
InChIKeyICENAWXJSMHQKQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone (CID 3778135) is (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone is CC1CCCCN1C(=O)c1ccc(Oc2cnccn2)cc1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone?
The InChIKey is ICENAWXJSMHQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-4-2-3-11-20(13)17(21)14-5-7-15(8-6-14)22-16-12-18-9-10-19-16/h5-10,12-13H,2-4,11H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone?
(2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(4-pyrazin-2-yloxyphenyl)methanone is sourced from PubChem (CID 3778135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).