1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C13H25NO3 — CID 114221624

IUPAC1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOC1CCN(C(=O)COC(C)(C)C)C(C)C1
InChIInChI=1S/C13H25NO3/c1-10-8-11(16-5)6-7-14(10)12(15)9-17-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyUDYZPOBNYQPTJZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds3

About 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 114221624) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID114221624
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOC1CCN(C(=O)COC(C)(C)C)C(C)C1
InChIInChI=1S/C13H25NO3/c1-10-8-11(16-5)6-7-14(10)12(15)9-17-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyUDYZPOBNYQPTJZ-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-(2-methylaziridin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167346885
1-(2,4-dimethylpyrrolidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968533
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
1-(2,5-dimethylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605480
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
tert-butyl 4-[(4-methoxypiperidin-1-yl)methyl]-2-methylpiperidine-1-carboxylate
CID 126842158
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 114221624) is 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is COC1CCN(C(=O)COC(C)(C)C)C(C)C1.
What is the InChIKey of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is UDYZPOBNYQPTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10-8-11(16-5)6-7-14(10)12(15)9-17-13(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 243.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 114221624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).