N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide

C22H28N2O2 — CID 17012003

IUPACN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
SMILESCc1ccc(C(CNC(=O)COc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-10-12-19(13-11-18)21(24-14-6-3-7-15-24)16-23-22(25)17-26-20-8-4-2-5-9-20/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyLKUWRPIOWKLLTF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.72
Rot. Bonds7

About N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide

N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide (PubChem CID 17012003) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
PubChem CID17012003
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
SMILESCc1ccc(C(CNC(=O)COc2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-10-12-19(13-11-18)21(24-14-6-3-7-15-24)16-23-22(25)17-26-20-8-4-2-5-9-20/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,23,25)
InChIKeyLKUWRPIOWKLLTF-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 34954966
N-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 43956116
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 35129885
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide (CID 17012003) is N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide is Cc1ccc(C(CNC(=O)COc2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide?
The InChIKey is LKUWRPIOWKLLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-10-12-19(13-11-18)21(24-14-6-3-7-15-24)16-23-22(25)17-26-20-8-4-2-5-9-20/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,23,25).
What are the key properties of N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide?
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide has a molecular weight of 352.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide is sourced from PubChem (CID 17012003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).