1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone

C14H21N3O2 — CID 52992824

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCCC1CCCCN1C(=O)COc1nccc(C)n1
InChIInChI=1S/C14H21N3O2/c1-3-12-6-4-5-9-17(12)13(18)10-19-14-15-8-7-11(2)16-14/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyAEPWVAVIFWGSCK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds4

About 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone

1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone (PubChem CID 52992824) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
PubChem CID52992824
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone
SMILESCCC1CCCCN1C(=O)COc1nccc(C)n1
InChIInChI=1S/C14H21N3O2/c1-3-12-6-4-5-9-17(12)13(18)10-19-14-15-8-7-11(2)16-14/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyAEPWVAVIFWGSCK-UHFFFAOYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone (CID 52992824) is 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone is CCC1CCCCN1C(=O)COc1nccc(C)n1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
The InChIKey is AEPWVAVIFWGSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-12-6-4-5-9-17(12)13(18)10-19-14-15-8-7-11(2)16-14/h7-8,12H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone has a molecular weight of 263.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-methylpyrimidin-2-yl)oxyethanone is sourced from PubChem (CID 52992824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).