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

C15H19NO3 — CID 39361344

IUPAC1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
SMILESCc1cc(C)cc(OCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11-7-12(2)9-14(8-11)19-10-15(18)16-5-3-13(17)4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyRXZOQXBCEGGAEJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.87
Rot. Bonds3

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

1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one (PubChem CID 39361344) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
PubChem CID39361344
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
SMILESCc1cc(C)cc(OCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11-7-12(2)9-14(8-11)19-10-15(18)16-5-3-13(17)4-6-16/h7-9H,3-6,10H2,1-2H3
InChIKeyRXZOQXBCEGGAEJ-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.87
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-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425847
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
1-[2-(3,4-dichlorophenoxy)acetyl]piperidin-4-one
CID 39425848
N-[4-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62029121
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9048338
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one (CID 39361344) is 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one is Cc1cc(C)cc(OCC(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one?
The InChIKey is RXZOQXBCEGGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-7-12(2)9-14(8-11)19-10-15(18)16-5-3-13(17)4-6-16/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one?
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.87, 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-dimethylphenoxy)acetyl]piperidin-4-one is sourced from PubChem (CID 39361344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).