3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one

C18H25NO3 — CID 175769786

IUPAC3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one
SMILESCCN1CCCC(C)(C)C1COC1OC(=O)c2ccccc21
InChIInChI=1S/C18H25NO3/c1-4-19-11-7-10-18(2,3)15(19)12-21-17-14-9-6-5-8-13(14)16(20)22-17/h5-6,8-9,15,17H,4,7,10-12H2,1-3H3
InChIKeyCDLAGWXAOQOEIZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.38
Rot. Bonds4

About 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one

3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one (PubChem CID 175769786) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one
PubChem CID175769786
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one
SMILESCCN1CCCC(C)(C)C1COC1OC(=O)c2ccccc21
InChIInChI=1S/C18H25NO3/c1-4-19-11-7-10-18(2,3)15(19)12-21-17-14-9-6-5-8-13(14)16(20)22-17/h5-6,8-9,15,17H,4,7,10-12H2,1-3H3
InChIKeyCDLAGWXAOQOEIZ-UHFFFAOYSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-3H-2-benzofuran-1-one
CID 11367744
ethane;3-hydroperoxy-3H-2-benzofuran-1-one;propane
CID 142374192
(3-oxo-1H-2-benzofuran-1-yl) methyliodanuidylformate
CID 149298623
3-(4-methylphenoxy)-3H-2-benzofuran-1-one
CID 10538000
(3-oxo-1H-2-benzofuran-1-yl) heptanoate
CID 10753938
3-[(2S)-butan-2-yl]-3H-2-benzofuran-1-one
CID 90910202
3-(3,3,3-trifluoroprop-1-en-2-yloxy)-3H-2-benzofuran-1-one
CID 159754527
3-but-1-en-2-yl-3H-2-benzofuran-1-one
CID 57033471
(3S)-3-amino-3H-2-benzofuran-1-one
CID 163831945
3-[(1S,2S)-2-[[1-(trifluoromethyl)cyclopropyl]methylamino]cyclohexyl]oxy-3H-2-benzofuran-1-one
CID 155797132
3-(1-hydroxypentyl)-3H-2-benzofuran-1-one
CID 11063962
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one (CID 175769786) is 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one is CCN1CCCC(C)(C)C1COC1OC(=O)c2ccccc21.
What is the InChIKey of 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one?
The InChIKey is CDLAGWXAOQOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-4-19-11-7-10-18(2,3)15(19)12-21-17-14-9-6-5-8-13(14)16(20)22-17/h5-6,8-9,15,17H,4,7,10-12H2,1-3H3.
What are the key properties of 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one?
3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one has a molecular weight of 303.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3,3-dimethylpiperidin-2-yl)methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 175769786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).