1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone

C13H19N3O2 — CID 95875447

IUPAC1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCc1ccnc(OCC(=O)N2CCC[C@@H](C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-10-4-3-7-16(8-10)12(17)9-18-13-14-6-5-11(2)15-13/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m1/s1
InChIKeyZQPRHEBEAXKOHR-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds3

About 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone

1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone (PubChem CID 95875447) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
PubChem CID95875447
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCc1ccnc(OCC(=O)N2CCC[C@@H](C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-10-4-3-7-16(8-10)12(17)9-18-13-14-6-5-11(2)15-13/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m1/s1
InChIKeyZQPRHEBEAXKOHR-SNVBAGLBSA-N
XLogP1.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-methylbenzoate
CID 2355163
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7283918
2-(4-methyl-1-phenylpyrazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 100819878
2-(1-bromonaphthalen-2-yl)oxy-1-(3-methylpiperidin-1-yl)ethanone
CID 42990322
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone (CID 95875447) is 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone.
What is the SMILES notation for 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The canonical SMILES for 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone is Cc1ccnc(OCC(=O)N2CCC[C@@H](C)C2)n1.
What is the InChIKey of 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
The InChIKey is ZQPRHEBEAXKOHR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-4-3-7-16(8-10)12(17)9-18-13-14-6-5-11(2)15-13/h5-6,10H,3-4,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone?
1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone has a molecular weight of 249.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperidin-1-yl]-2-(4-methylpyrimidin-2-yl)oxyethanone is sourced from PubChem (CID 95875447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).