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

C24H31ClN2O2 — CID 40985997

IUPACN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C24H31ClN2O2/c1-18(2)19-8-12-22(13-9-19)29-17-24(28)26-16-23(27-14-4-3-5-15-27)20-6-10-21(25)11-7-20/h6-13,18,23H,3-5,14-17H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyYEZDTGAJOKZRGG-HSZRJFAPSA-N
MW414.98 g/mol
LogP5.19
Rot. Bonds8

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

N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 40985997) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID40985997
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C24H31ClN2O2/c1-18(2)19-8-12-22(13-9-19)29-17-24(28)26-16-23(27-14-4-3-5-15-27)20-6-10-21(25)11-7-20/h6-13,18,23H,3-5,14-17H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyYEZDTGAJOKZRGG-HSZRJFAPSA-N
XLogP5.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.98
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 45155317
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 45155087
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
2-(4-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]acetamide
CID 17013722
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
2-(4-chlorophenoxy)-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]acetamide;hydrochloride
CID 146052569
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 34955007
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenoxy)acetamide
CID 35042237
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-phenoxyacetamide
CID 35126659
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenoxyacetamide
CID 17012003
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 112503361

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 40985997) is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is YEZDTGAJOKZRGG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31ClN2O2/c1-18(2)19-8-12-22(13-9-19)29-17-24(28)26-16-23(27-14-4-3-5-15-27)20-6-10-21(25)11-7-20/h6-13,18,23H,3-5,14-17H2,1-2H3,(H,26,28)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 414.98 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 40985997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).