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

C12H23NO3 — CID 58139999

IUPAC2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-10-5-7-13(8-6-10)11(14)9-15-4/h10H,5-9H2,1-4H3
InChIKeyPGETXKHUCHAQCJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds3

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

2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone (PubChem CID 58139999) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
PubChem CID58139999
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-10-5-7-13(8-6-10)11(14)9-15-4/h10H,5-9H2,1-4H3
InChIKeyPGETXKHUCHAQCJ-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 155458223
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
CID 115871790
2-methoxy-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 145013525
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60637500
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
CID 106675338
[1-(2-methoxyacetyl)piperidin-4-yl]methyl carbamate
CID 175556728

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone (CID 58139999) is 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone is COCC(=O)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The InChIKey is PGETXKHUCHAQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-10-5-7-13(8-6-10)11(14)9-15-4/h10H,5-9H2,1-4H3.
What are the key properties of 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone has a molecular weight of 229.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 58139999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).