2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone

C16H20ClNO3 — CID 102561626

IUPAC2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C16H20ClNO3/c1-11-5-3-4-8-18(11)16(20)10-21-15-7-6-13(12(2)19)9-14(15)17/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyZEUYGDDKKGSQGZ-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone

2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 102561626) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID102561626
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2CCCCC2C)c(Cl)c1
InChIInChI=1S/C16H20ClNO3/c1-11-5-3-4-8-18(11)16(20)10-21-15-7-6-13(12(2)19)9-14(15)17/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyZEUYGDDKKGSQGZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 1103949
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
2-(2,4-dichlorophenoxy)-1-(2-methyl-1,3-oxazinan-3-yl)ethanone
CID 110739797
(2S)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 66264562
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 17429655
2-(2,4-dichlorophenoxy)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707765
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
1-(4-acetyl-2-chlorophenoxy)butan-2-one
CID 99578755

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone (CID 102561626) is 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is CC(=O)c1ccc(OCC(=O)N2CCCCC2C)c(Cl)c1.
What is the InChIKey of 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is ZEUYGDDKKGSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11-5-3-4-8-18(11)16(20)10-21-15-7-6-13(12(2)19)9-14(15)17/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone?
2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 309.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-chlorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102561626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).