2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide

C21H26N2O4 — CID 6496957

IUPAC2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-16-6-8-17(9-7-16)27-15-21(24)22-19-14-18(26-2)10-11-20(19)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyKRLCRUVBDYPFRX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.71
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide

2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide (PubChem CID 6496957) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide
PubChem CID6496957
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-16-6-8-17(9-7-16)27-15-21(24)22-19-14-18(26-2)10-11-20(19)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)
InChIKeyKRLCRUVBDYPFRX-UHFFFAOYSA-N
XLogP3.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide (CID 6496957) is 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide is COc1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide?
The InChIKey is KRLCRUVBDYPFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-16-6-8-17(9-7-16)27-15-21(24)22-19-14-18(26-2)10-11-20(19)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide?
2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(5-methoxy-2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 6496957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).