1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one

C18H25NO3 — CID 135031865

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H25NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13H,9-12H2,1-4H3
InChIKeyUSILRPMBOVIUDO-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.32
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one

1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 135031865) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
PubChem CID135031865
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1OCC1COc2ccccc21
InChIInChI=1S/C18H25NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13H,9-12H2,1-4H3
InChIKeyUSILRPMBOVIUDO-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
4-(2,3-Dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
CID 102100110
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
CID 135031861
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
CID 135031863
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 135031864
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 135031867
N-[1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]acetamide
CID 135031868
1-(3-Phenyl-2,3-dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12116356
N-tert-butyl-N-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2-methylpropan-2-amine
CID 12709387
CID 59873165
CID 59873165
CID 88582526
CID 88582526
1'-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]
CID 154235996

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one (CID 135031865) is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1OCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is USILRPMBOVIUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-17(2)9-14(20)10-18(3,4)19(17)22-12-13-11-21-16-8-6-5-7-15(13)16/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one?
1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 303.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 135031865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).