1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one

C13H13Cl2NO3 — CID 39425847

IUPAC1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-10(15)7-12(6-9)19-8-13(18)16-3-1-11(17)2-4-16/h5-7H,1-4,8H2
InChIKeyALUGZBQRXGSLDB-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.56
Rot. Bonds3

About 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one

1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one (PubChem CID 39425847) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
PubChem CID39425847
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-5-10(15)7-12(6-9)19-8-13(18)16-3-1-11(17)2-4-16/h5-7H,1-4,8H2
InChIKeyALUGZBQRXGSLDB-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39405856
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425848
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-[2-(3,5-dichlorophenoxy)acetyl]imidazolidin-2-one
CID 7467120
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(3,5-dichlorophenoxy)ethanone
CID 120659713
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
CID 39381768
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 3559203
N-[4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62029121
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one (CID 39425847) is 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one is O=C1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one?
The InChIKey is ALUGZBQRXGSLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-5-10(15)7-12(6-9)19-8-13(18)16-3-1-11(17)2-4-16/h5-7H,1-4,8H2.
What are the key properties of 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one?
1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one has a molecular weight of 302.16 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one is sourced from PubChem (CID 39425847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).