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

C13H13Cl2NO3 — CID 39425848

IUPAC1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO3/c14-11-2-1-10(7-12(11)15)19-8-13(18)16-5-3-9(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyKNWLGOWWZWXLEC-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.56
Rot. Bonds3

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

1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one (PubChem CID 39425848) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
PubChem CID39425848
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
SMILESO=C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H13Cl2NO3/c14-11-2-1-10(7-12(11)15)19-8-13(18)16-5-3-9(17)4-6-16/h1-2,7H,3-6,8H2
InChIKeyKNWLGOWWZWXLEC-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

2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
1-[2-(3,5-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
1-[1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 154747804
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
2-(3,4-dichlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 55598057
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39405856
N-[4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62029121
5-[2-(azetidin-1-yl)-2-oxoethoxy]-2-chlorobenzoic acid
CID 106500805
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
2-[4-[2-(3,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55597097
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one (CID 39425848) is 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one is O=C1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one?
The InChIKey is KNWLGOWWZWXLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-11-2-1-10(7-12(11)15)19-8-13(18)16-5-3-9(17)4-6-16/h1-2,7H,3-6,8H2.
What are the key properties of 1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one?
1-[2-(3,4-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-(3,4-dichlorophenoxy)acetyl]piperidin-4-one is sourced from PubChem (CID 39425848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).