1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone

C17H25NO3 — CID 107393674

IUPAC1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H25NO3/c1-4-21-16-9-6-5-8-14(16)15(19)12-18-11-7-10-17(2,13-18)20-3/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyMCZWUFIPTOKIBN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.77
Rot. Bonds6

About 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone

1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 107393674) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
PubChem CID107393674
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccccc1C(=O)CN1CCCC(C)(OC)C1
InChIInChI=1S/C17H25NO3/c1-4-21-16-9-6-5-8-14(16)15(19)12-18-11-7-10-17(2,13-18)20-3/h5-6,8-9H,4,7,10-13H2,1-3H3
InChIKeyMCZWUFIPTOKIBN-UHFFFAOYSA-N
XLogP2.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
1-(2-ethoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796226
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393709
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methoxyphenyl)ethanone
CID 107405297
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(2-fluorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-2-one
CID 107393650
1-(3,4-dichlorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393620
2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
4-ethoxy-3-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390802
2-pyrrolidin-1-yl-1-(2,3,4-triethoxyphenyl)ethanone
CID 93191468
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone (CID 107393674) is 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is CCOc1ccccc1C(=O)CN1CCCC(C)(OC)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is MCZWUFIPTOKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-21-16-9-6-5-8-14(16)15(19)12-18-11-7-10-17(2,13-18)20-3/h5-6,8-9H,4,7,10-13H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone?
1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107393674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).