2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone

C15H20N2O3 — CID 119376034

IUPAC2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)12-3-2-4-14(9-12)20-10-15(19)17-7-5-13(16)6-8-17/h2-4,9,13H,5-8,10,16H2,1H3
InChIKeyDNDKKDGWNKCMFR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds4

About 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone

2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone (PubChem CID 119376034) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
PubChem CID119376034
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
SMILESCC(=O)c1cccc(OCC(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)12-3-2-4-14(9-12)20-10-15(19)17-7-5-13(16)6-8-17/h2-4,9,13H,5-8,10,16H2,1H3
InChIKeyDNDKKDGWNKCMFR-UHFFFAOYSA-N
XLogP1.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-1-[3-(aminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119486393
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
(2R)-1-[2-(3-acetylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370741
1-[2-[[2-(3-acetylphenoxy)acetyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236211
1-[4-(3-acetylphenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166436
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
4-(3-acetylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119647391
2-(3-acetylphenoxy)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone
CID 9298679
(2R,3R)-1-[2-(3-acetylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114832

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone (CID 119376034) is 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone is CC(=O)c1cccc(OCC(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone?
The InChIKey is DNDKKDGWNKCMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)12-3-2-4-14(9-12)20-10-15(19)17-7-5-13(16)6-8-17/h2-4,9,13H,5-8,10,16H2,1H3.
What are the key properties of 2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone?
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.22, 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-aminopiperidin-1-yl)ethanone is sourced from PubChem (CID 119376034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).