N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H25ClN2O3 — CID 56574904

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H25ClN2O3/c1-24(14-15-28-19-11-7-10-18(23)16-19)22(27)21(17-8-3-2-4-9-17)25-13-6-5-12-20(25)26/h2-4,7-11,16,21H,5-6,12-15H2,1H3
InChIKeyXXTWCLFFJMFAME-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.93
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56574904) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56574904
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H25ClN2O3/c1-24(14-15-28-19-11-7-10-18(23)16-19)22(27)21(17-8-3-2-4-9-17)25-13-6-5-12-20(25)26/h2-4,7-11,16,21H,5-6,12-15H2,1H3
InChIKeyXXTWCLFFJMFAME-UHFFFAOYSA-N
XLogP3.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577703
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119654619
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
1-[(3-chlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidin-2-one
CID 91805545
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
CID 56567983
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515688
N-[2-(3-chlorophenoxy)ethyl]-N,1-dimethylcyclopentane-1-carboxamide
CID 55480704

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56574904) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CN(CCOc1cccc(Cl)c1)C(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is XXTWCLFFJMFAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-24(14-15-28-19-11-7-10-18(23)16-19)22(27)21(17-8-3-2-4-9-17)25-13-6-5-12-20(25)26/h2-4,7-11,16,21H,5-6,12-15H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 400.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56574904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).