2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

C21H26N2O3 — CID 2972046

IUPAC2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-11-13-23(14-12-16)18-5-3-17(4-6-18)22-21(24)15-26-20-9-7-19(25-2)8-10-20/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyYLJMJINTLPFIEL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide

2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (PubChem CID 2972046) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
PubChem CID2972046
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-16-11-13-23(14-12-16)18-5-3-17(4-6-18)22-21(24)15-26-20-9-7-19(25-2)8-10-20/h3-10,16H,11-15H2,1-2H3,(H,22,24)
InChIKeyYLJMJINTLPFIEL-UHFFFAOYSA-N
XLogP3.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide (CID 2972046) is 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
The InChIKey is YLJMJINTLPFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-11-13-23(14-12-16)18-5-3-17(4-6-18)22-21(24)15-26-20-9-7-19(25-2)8-10-20/h3-10,16H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2972046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).