2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

C17H23ClN2O3 — CID 32542579

IUPAC2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-12(2)17(22)20-9-7-14(8-10-20)19-16(21)11-23-15-5-3-13(18)4-6-15/h3-6,12,14H,7-11H2,1-2H3,(H,19,21)
InChIKeyNXIIIUSHGJDBAI-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 32542579) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
PubChem CID32542579
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN2O3/c1-12(2)17(22)20-9-7-14(8-10-20)19-16(21)11-23-15-5-3-13(18)4-6-15/h3-6,12,14H,7-11H2,1-2H3,(H,19,21)
InChIKeyNXIIIUSHGJDBAI-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
2-(4-chlorophenoxy)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 46467019
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
butyl 4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108561476
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314
2-(4-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 108561456
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63627311
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (CID 32542579) is 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is CC(C)C(=O)N1CCC(NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is NXIIIUSHGJDBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-12(2)17(22)20-9-7-14(8-10-20)19-16(21)11-23-15-5-3-13(18)4-6-15/h3-6,12,14H,7-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 338.84 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 32542579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).