1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone

C19H23N3O3 — CID 122161113

IUPAC1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(OC2CCCN(C(=O)COc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-14-11-18(21-15(2)20-14)25-17-9-6-10-22(12-17)19(23)13-24-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3
InChIKeyXHNDHSWCDAVDKF-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.54
Rot. Bonds5

About 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone (PubChem CID 122161113) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
PubChem CID122161113
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
SMILESCc1cc(OC2CCCN(C(=O)COc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C19H23N3O3/c1-14-11-18(21-15(2)20-14)25-17-9-6-10-22(12-17)19(23)13-24-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3
InChIKeyXHNDHSWCDAVDKF-UHFFFAOYSA-N
XLogP2.54
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 122257957
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122260317
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122260418
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-thiophen-2-ylethanone
CID 122260319
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone (CID 122161113) is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone is Cc1cc(OC2CCCN(C(=O)COc3ccccc3)C2)nc(C)n1.
What is the InChIKey of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone?
The InChIKey is XHNDHSWCDAVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-11-18(21-15(2)20-14)25-17-9-6-10-22(12-17)19(23)13-24-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3.
What are the key properties of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone?
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone has a molecular weight of 341.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 122161113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).