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

C17H27N3O2 — CID 122260439

IUPAC1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC(Oc2cc(C)nc(C)n2)C1
InChIInChI=1S/C17H27N3O2/c1-5-12(2)9-17(21)20-8-6-7-15(11-20)22-16-10-13(3)18-14(4)19-16/h10,12,15H,5-9,11H2,1-4H3
InChIKeyKTKDQEUZYZOKOW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.90
Rot. Bonds5

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

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one (PubChem CID 122260439) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
PubChem CID122260439
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)CC(=O)N1CCCC(Oc2cc(C)nc(C)n2)C1
InChIInChI=1S/C17H27N3O2/c1-5-12(2)9-17(21)20-8-6-7-15(11-20)22-16-10-13(3)18-14(4)19-16/h10,12,15H,5-9,11H2,1-4H3
InChIKeyKTKDQEUZYZOKOW-UHFFFAOYSA-N
XLogP2.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylpiperidine-1-carboxamide
CID 122260550
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
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-phenoxyethanone
CID 122161113
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-(4-fluorophenyl)ethanone
CID 122260312
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122260395
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
CID 122257446
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]-2-thiophen-2-ylethanone
CID 122260319
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 122260367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one (CID 122260439) is 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one is CCC(C)CC(=O)N1CCCC(Oc2cc(C)nc(C)n2)C1.
What is the InChIKey of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is KTKDQEUZYZOKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-12(2)9-17(21)20-8-6-7-15(11-20)22-16-10-13(3)18-14(4)19-16/h10,12,15H,5-9,11H2,1-4H3.
What are the key properties of 1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one?
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 305.42 g/mol, XLogP of 2.90, 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-methylpentan-1-one is sourced from PubChem (CID 122260439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).