2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide

C22H27ClN2O2 — CID 17011545

IUPAC2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)COc2cccc(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-8-10-18(11-9-17)21(25-12-3-2-4-13-25)15-24-22(26)16-27-20-7-5-6-19(23)14-20/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyHSYYIDAVKFWAHG-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.37
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide

2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 17011545) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID17011545
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCc1ccc(C(CNC(=O)COc2cccc(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-8-10-18(11-9-17)21(25-12-3-2-4-13-25)15-24-22(26)16-27-20-7-5-6-19(23)14-20/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26)
InChIKeyHSYYIDAVKFWAHG-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17014391
2-(3-methylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52985221
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43843061
2-(2,6-dimethylphenoxy)-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 35043931
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-(2,6-dimethylphenoxy)acetamide
CID 35129885
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide (CID 17011545) is 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide is Cc1ccc(C(CNC(=O)COc2cccc(Cl)c2)N2CCCCC2)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is HSYYIDAVKFWAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17-8-10-18(11-9-17)21(25-12-3-2-4-13-25)15-24-22(26)16-27-20-7-5-6-19(23)14-20/h5-11,14,21H,2-4,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 17011545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).