2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide

C20H22N2O4 — CID 7687689

IUPAC2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-8-10-18(11-9-17)26-14-19(23)21-15-5-4-6-16(13-15)22-12-3-2-7-20(22)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,21,23)
InChIKeyQMDSUXMEIZQUDS-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.23
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide

2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide (PubChem CID 7687689) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
PubChem CID7687689
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
SMILESCOc1ccc(OCC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1
InChIInChI=1S/C20H22N2O4/c1-25-17-8-10-18(11-9-17)26-14-19(23)21-15-5-4-6-16(13-15)22-12-3-2-7-20(22)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,21,23)
InChIKeyQMDSUXMEIZQUDS-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide (CID 7687689) is 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide is COc1ccc(OCC(=O)Nc2cccc(N3CCCCC3=O)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
The InChIKey is QMDSUXMEIZQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-8-10-18(11-9-17)26-14-19(23)21-15-5-4-6-16(13-15)22-12-3-2-7-20(22)24/h4-6,8-11,13H,2-3,7,12,14H2,1H3,(H,21,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide?
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 3.23, 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-[3-(2-oxopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 7687689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).