2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide

C16H20Cl2N2O3 — CID 108553385

IUPAC2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
SMILESCCC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O3/c1-2-16(22)20-7-5-12(6-8-20)19-15(21)10-23-14-4-3-11(17)9-13(14)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyDVNAFEBUIRYHBH-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.89
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide

2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide (PubChem CID 108553385) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
PubChem CID108553385
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
SMILESCCC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O3/c1-2-16(22)20-7-5-12(6-8-20)19-15(21)10-23-14-4-3-11(17)9-13(14)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyDVNAFEBUIRYHBH-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561064
2-(2,4-dichlorophenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 55566141
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553543
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930362

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide (CID 108553385) is 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide is CCC(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide?
The InChIKey is DVNAFEBUIRYHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-2-16(22)20-7-5-12(6-8-20)19-15(21)10-23-14-4-3-11(17)9-13(14)18/h3-4,9,12H,2,5-8,10H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide has a molecular weight of 359.25 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide is sourced from PubChem (CID 108553385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).