1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one

C17H23NO3 — CID 114509724

IUPAC1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
SMILESCCC1CN(CCOc2ccccc2C(C)=O)CCC1=O
InChIInChI=1S/C17H23NO3/c1-3-14-12-18(9-8-16(14)20)10-11-21-17-7-5-4-6-15(17)13(2)19/h4-7,14H,3,8-12H2,1-2H3
InChIKeyTYVWVNXKTJGULO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.57
Rot. Bonds6

About 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one

1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one (PubChem CID 114509724) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
PubChem CID114509724
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
SMILESCCC1CN(CCOc2ccccc2C(C)=O)CCC1=O
InChIInChI=1S/C17H23NO3/c1-3-14-12-18(9-8-16(14)20)10-11-21-17-7-5-4-6-15(17)13(2)19/h4-7,14H,3,8-12H2,1-2H3
InChIKeyTYVWVNXKTJGULO-UHFFFAOYSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one?
The IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one (CID 114509724) is 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one?
The canonical SMILES for 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one is CCC1CN(CCOc2ccccc2C(C)=O)CCC1=O.
What is the InChIKey of 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one?
The InChIKey is TYVWVNXKTJGULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-14-12-18(9-8-16(14)20)10-11-21-17-7-5-4-6-15(17)13(2)19/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one?
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one is sourced from PubChem (CID 114509724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).