2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

C22H26Cl2N2O2 — CID 16546888

IUPAC2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-18-8-6-17(7-9-18)21(26-11-3-2-4-12-26)15-25-22(27)14-16-5-10-19(23)20(24)13-16/h5-10,13,21H,2-4,11-12,14-15H2,1H3,(H,25,27)
InChIKeyGDOIZIIIUMTIQH-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.89
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 16546888) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
PubChem CID16546888
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-28-18-8-6-17(7-9-18)21(26-11-3-2-4-12-26)15-25-22(27)14-16-5-10-19(23)20(24)13-16/h5-10,13,21H,2-4,11-12,14-15H2,1H3,(H,25,27)
InChIKeyGDOIZIIIUMTIQH-UHFFFAOYSA-N
XLogP4.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide (CID 16546888) is 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is GDOIZIIIUMTIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-28-18-8-6-17(7-9-18)21(26-11-3-2-4-12-26)15-25-22(27)14-16-5-10-19(23)20(24)13-16/h5-10,13,21H,2-4,11-12,14-15H2,1H3,(H,25,27).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 421.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 16546888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).