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

C20H25N3O2 — CID 122260320

IUPAC1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc(OC2CCCN(C(=O)CCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C20H25N3O2/c1-15-13-19(22-16(2)21-15)25-18-9-6-12-23(14-18)20(24)11-10-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3
InChIKeyLDACNYWADJRCGB-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.10
Rot. Bonds5

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

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 122260320) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
PubChem CID122260320
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCc1cc(OC2CCCN(C(=O)CCc3ccccc3)C2)nc(C)n1
InChIInChI=1S/C20H25N3O2/c1-15-13-19(22-16(2)21-15)25-18-9-6-12-23(14-18)20(24)11-10-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3
InChIKeyLDACNYWADJRCGB-UHFFFAOYSA-N
XLogP3.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
benzyl N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
CID 122260418
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122260474
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667
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
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-thiophen-2-ylethanone
CID 122260319
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one (CID 122260320) is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one is Cc1cc(OC2CCCN(C(=O)CCc3ccccc3)C2)nc(C)n1.
What is the InChIKey of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is LDACNYWADJRCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-13-19(22-16(2)21-15)25-18-9-6-12-23(14-18)20(24)11-10-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14H2,1-2H3.
What are the key properties of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 122260320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).