[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

C15H17N5O2 — CID 122260865

IUPAC[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nccc(OC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H17N5O2/c1-11-17-5-4-14(19-11)22-12-3-2-8-20(10-12)15(21)13-9-16-6-7-18-13/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyCNVCQJTWWCOOQG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.26
Rot. Bonds3

About [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 122260865) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID122260865
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1nccc(OC2CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C15H17N5O2/c1-11-17-5-4-14(19-11)22-12-3-2-8-20(10-12)15(21)13-9-16-6-7-18-13/h4-7,9,12H,2-3,8,10H2,1H3
InChIKeyCNVCQJTWWCOOQG-UHFFFAOYSA-N
XLogP1.26
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
CID 122260909
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 122260897
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
(5-methyl-1-phenylpyrazol-4-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260701
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
[2-methyl-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 122260957
[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-pyrazin-2-ylmethanone
CID 122249628
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260848

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone (CID 122260865) is [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is Cc1nccc(OC2CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is CNVCQJTWWCOOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11-17-5-4-14(19-11)22-12-3-2-8-20(10-12)15(21)13-9-16-6-7-18-13/h4-7,9,12H,2-3,8,10H2,1H3.
What are the key properties of [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone?
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 299.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 122260865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).