1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone

C15H23N3O3 — CID 134160668

IUPAC1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(COc2ncnc(C)c2C)CC1
InChIInChI=1S/C15H23N3O3/c1-11-12(2)16-10-17-15(11)21-8-13-4-6-18(7-5-13)14(19)9-20-3/h10,13H,4-9H2,1-3H3
InChIKeyUEOLMYHNXZYLRS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 134160668) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID134160668
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(COc2ncnc(C)c2C)CC1
InChIInChI=1S/C15H23N3O3/c1-11-12(2)16-10-17-15(11)21-8-13-4-6-18(7-5-13)14(19)9-20-3/h10,13H,4-9H2,1-3H3
InChIKeyUEOLMYHNXZYLRS-UHFFFAOYSA-N
XLogP1.36
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyacetyl)piperidin-4-yl]methyl carbamate
CID 175556728
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
N-[(2R)-1-[2-(5,6-dimethylpyrimidin-4-yl)oxyacetyl]-2-(methoxymethyl)piperidin-3-yl]methanesulfonamide
CID 167117729
2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid
CID 94075183
1-[4-[[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]-2-methoxyethanone
CID 95822478
4-(cyclopropylmethoxy)-5-methoxy-6-methylpyrimidine
CID 129261235
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
CID 39237865
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-[[4-(2-methoxyacetyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 129178233
1-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-2-methoxyethanone
CID 91815903
1-[[1-(2-methoxyacetyl)piperidin-4-yl]methyl]pyrazole-4-carboxylic acid
CID 95826381

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone (CID 134160668) is 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(COc2ncnc(C)c2C)CC1.
What is the InChIKey of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is UEOLMYHNXZYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-12(2)16-10-17-15(11)21-8-13-4-6-18(7-5-13)14(19)9-20-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 293.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 134160668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).