N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide

C23H29ClN2O2 — CID 35043337

IUPACN-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C23H29ClN2O2/c1-2-18-10-12-19(13-11-18)28-17-23(27)25-16-22(26-14-6-3-7-15-26)20-8-4-5-9-21(20)24/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyLZXIVOYBTQQXKL-JOCHJYFZSA-N
MW400.95 g/mol
LogP4.62
Rot. Bonds8

About N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide

N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide (PubChem CID 35043337) has the molecular formula C23H29ClN2O2 and a molecular weight of 400.95 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
PubChem CID35043337
Molecular FormulaC23H29ClN2O2
Molecular Weight400.95 g/mol
Exact Mass400.19
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C23H29ClN2O2/c1-2-18-10-12-19(13-11-18)28-17-23(27)25-16-22(26-14-6-3-7-15-26)20-8-4-5-9-21(20)24/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,27)/t22-/m1/s1
InChIKeyLZXIVOYBTQQXKL-JOCHJYFZSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-ethylphenoxy)acetamide
CID 17012218
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-methylphenoxy)acetamide
CID 35043345
2-(4-ethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35131294
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
N-[(2R)-2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)acetamide
CID 35043945
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
2-(4-tert-butylphenoxy)-N-[(2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 35579021
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 55888026
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
acetonitrile;N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(2,3-dimethylphenoxy)acetamide;hydrochloride
CID 175662902
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide (CID 35043337) is N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is LZXIVOYBTQQXKL-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29ClN2O2/c1-2-18-10-12-19(13-11-18)28-17-23(27)25-16-22(26-14-6-3-7-15-26)20-8-4-5-9-21(20)24/h4-5,8-13,22H,2-3,6-7,14-17H2,1H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide?
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 400.95 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 35043337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).