ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate

C17H24N2O4 — CID 71799553

IUPACethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-17(21)8-7-16(20)19-11-9-14(10-12-19)23-15-6-4-5-13(2)18-15/h4-6,14H,3,7-12H2,1-2H3
InChIKeyXIXLOSDFOMVKGC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.10
Rot. Bonds6

About ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate

ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate (PubChem CID 71799553) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate
PubChem CID71799553
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Oc2cccc(C)n2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-17(21)8-7-16(20)19-11-9-14(10-12-19)23-15-6-4-5-13(2)18-15/h4-6,14H,3,7-12H2,1-2H3
InChIKeyXIXLOSDFOMVKGC-UHFFFAOYSA-N
XLogP2.10
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

Ethyl 4-oxo-4-(4-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)butanoate
CID 71798721
2-(2-Fluorophenoxy)-1-(4-((6-methylpyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71799565
2-(4-Fluorophenyl)-1-(4-((6-methylpyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71799566
Ethyl 4-(4-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)-4-oxobutanoate
CID 72717308
[2-methyl-1-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-1-oxopropan-2-yl] acetate
CID 129416639
Ethyl 4-(4-((5-cyanopyridin-2-yl)oxy)piperidin-1-yl)-4-oxobutanoate
CID 71799083
Ethyl 4-(4-((3-bromopyridin-2-yl)oxy)piperidin-1-yl)-4-oxobutanoate
CID 71799456
2-Ethoxy-1-(4-((6-methylpyridin-2-yl)oxy)piperidin-1-yl)ethanone
CID 71799552
Ethyl 4-[(6-methylpyridin-2-YL)oxy]piperidine-1-carboxylate
CID 71799576
5-(4-((6-methylpyridin-2-yl)oxy)piperidine-1-carbonyl)-2H-pyran-2-one
CID 71799585
1-(4-((6-Methylpyridin-2-yl)oxy)piperidin-1-yl)-3-(phenylthio)propan-1-one
CID 71799595
N-(2-Methoxyethyl)-4-[(6-methylpyridin-2-YL)oxy]piperidine-1-carboxamide
CID 71799618

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate (CID 71799553) is ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate is CCOC(=O)CCC(=O)N1CCC(Oc2cccc(C)n2)CC1.
What is the InChIKey of ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is XIXLOSDFOMVKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-17(21)8-7-16(20)19-11-9-14(10-12-19)23-15-6-4-5-13(2)18-15/h4-6,14H,3,7-12H2,1-2H3.
What are the key properties of ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate?
ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 320.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 71799553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).