N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide

C22H27ClN2O2 — CID 35043345

IUPACN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-9-11-18(12-10-17)27-16-22(26)24-15-21(25-13-5-2-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyMFLHSVFYMMYIPT-NRFANRHFSA-N
MW386.92 g/mol
LogP4.37
Rot. Bonds7

About N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide

N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 35043345) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
PubChem CID35043345
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C22H27ClN2O2/c1-17-9-11-18(12-10-17)27-16-22(26)24-15-21(25-13-5-2-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,24,26)/t21-/m0/s1
InChIKeyMFLHSVFYMMYIPT-NRFANRHFSA-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

N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 35043337
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
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-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 35043945
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 35181296
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(3-chlorophenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17011545
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(3-methylphenoxy)acetamide
CID 35341646
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide (CID 35043345) is N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is MFLHSVFYMMYIPT-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-17-9-11-18(12-10-17)27-16-22(26)24-15-21(25-13-5-2-6-14-25)19-7-3-4-8-20(19)23/h3-4,7-12,21H,2,5-6,13-16H2,1H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide?
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)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 N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 35043345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).