N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide

C16H21ClN2O3 — CID 71968843

IUPACN-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)COc2ccc(C)cc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c1-11-5-6-15(14(17)8-11)22-10-16(21)19-7-3-4-13(9-19)18-12(2)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyZIAFGYLDWSHUED-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.15
Rot. Bonds4

About N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide

N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide (PubChem CID 71968843) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
PubChem CID71968843
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)COc2ccc(C)cc2Cl)C1
InChIInChI=1S/C16H21ClN2O3/c1-11-5-6-15(14(17)8-11)22-10-16(21)19-7-3-4-13(9-19)18-12(2)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyZIAFGYLDWSHUED-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575488
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
(3S)-1-[2-(2-chloro-5-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 78923375
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
2-(2-methoxy-4-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 78765268
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119592635
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
2-(2-chloro-5-methylphenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114680353
[2-(3-acetamidopiperidin-1-yl)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 71887977
2-(2-chloro-5-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403512
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
2-(2-bromo-4-fluorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488313

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide (CID 71968843) is N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)COc2ccc(C)cc2Cl)C1.
What is the InChIKey of N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide?
The InChIKey is ZIAFGYLDWSHUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-11-5-6-15(14(17)8-11)22-10-16(21)19-7-3-4-13(9-19)18-12(2)20/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide?
N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide has a molecular weight of 324.81 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chloro-4-methylphenoxy)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 71968843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).