1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one

C13H13Cl2NO2 — CID 62053397

IUPAC1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H13Cl2NO2/c14-9-1-2-12(15)11(7-9)13(18)8-16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyKQXBKKAJHDPPPY-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one

1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one (PubChem CID 62053397) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
PubChem CID62053397
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H13Cl2NO2/c14-9-1-2-12(15)11(7-9)13(18)8-16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyKQXBKKAJHDPPPY-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
1-(2,5-dichlorophenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 55210788
1-[2-(3,4-difluorophenyl)-2-oxoethyl]piperidin-4-one
CID 62050662
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
1-(2,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone;hydrochloride
CID 45052844
1-(2,5-dichlorophenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 64577442
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,5-dione
CID 79936015
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62051251
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one (CID 62053397) is 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one is O=C1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one?
The InChIKey is KQXBKKAJHDPPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c14-9-1-2-12(15)11(7-9)13(18)8-16-5-3-10(17)4-6-16/h1-2,7H,3-6,8H2.
What are the key properties of 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one?
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one has a molecular weight of 286.16 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one is sourced from PubChem (CID 62053397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).