1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione

C16H23N3O3 — CID 121160950

IUPAC1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1
InChIInChI=1S/C16H23N3O3/c1-11-10-15(18-13(3)17-11)22-14-6-8-19(9-7-14)16(21)5-4-12(2)20/h10,14H,4-9H2,1-3H3
InChIKeyHEQDGEJGECJQKB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.83
Rot. Bonds5

About 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione

1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione (PubChem CID 121160950) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione.

Molecular Properties

Compound Name1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
PubChem CID121160950
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
SMILESCC(=O)CCC(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1
InChIInChI=1S/C16H23N3O3/c1-11-10-15(18-13(3)17-11)22-14-6-8-19(9-7-14)16(21)5-4-12(2)20/h10,14H,4-9H2,1-3H3
InChIKeyHEQDGEJGECJQKB-UHFFFAOYSA-N
XLogP1.83
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 121160777
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121160857
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
2-(1,3-benzodioxol-5-yl)-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160952
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
CID 121160979
(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
tert-butyl (3R)-3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate
CID 153376550
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione?
The IUPAC name of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione (CID 121160950) is 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione.
What is the SMILES notation for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione?
The canonical SMILES for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione is CC(=O)CCC(=O)N1CCC(Oc2cc(C)nc(C)n2)CC1.
What is the InChIKey of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione?
The InChIKey is HEQDGEJGECJQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-10-15(18-13(3)17-11)22-14-6-8-19(9-7-14)16(21)5-4-12(2)20/h10,14H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione?
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione has a molecular weight of 305.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione is sourced from PubChem (CID 121160950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).