2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone

C17H24N2O3 — CID 120815322

IUPAC2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)13-5-4-6-14(9-13)22-10-16(21)19-8-7-15(18)17(2,3)11-19/h4-6,9,15H,7-8,10-11,18H2,1-3H3
InChIKeyOXOZJGXRLXFEQG-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone

2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 120815322) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
PubChem CID120815322
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCC(N)C(C)(C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12(20)13-5-4-6-14(9-13)22-10-16(21)19-8-7-15(18)17(2,3)11-19/h4-6,9,15H,7-8,10-11,18H2,1-3H3
InChIKeyOXOZJGXRLXFEQG-UHFFFAOYSA-N
XLogP1.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120815169
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone (CID 120815322) is 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone is CC(=O)c1cccc(OCC(=O)N2CCC(N)C(C)(C)C2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is OXOZJGXRLXFEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(20)13-5-4-6-14(9-13)22-10-16(21)19-8-7-15(18)17(2,3)11-19/h4-6,9,15H,7-8,10-11,18H2,1-3H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone?
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 120815322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).