4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one

C20H26N2O3 — CID 47533245

IUPAC4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCCOc1ccccc1OC1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-24-18-6-4-5-7-19(18)25-17-9-12-22(13-10-17)15-16-8-11-21(2)20(23)14-16/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3
InChIKeyKHXJOYGHNCQYKK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds6

About 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one

4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one (PubChem CID 47533245) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
PubChem CID47533245
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
SMILESCCOc1ccccc1OC1CCN(Cc2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C20H26N2O3/c1-3-24-18-6-4-5-7-19(18)25-17-9-12-22(13-10-17)15-16-8-11-21(2)20(23)14-16/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3
InChIKeyKHXJOYGHNCQYKK-UHFFFAOYSA-N
XLogP2.83
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one (CID 47533245) is 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one is CCOc1ccccc1OC1CCN(Cc2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
The InChIKey is KHXJOYGHNCQYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-24-18-6-4-5-7-19(18)25-17-9-12-22(13-10-17)15-16-8-11-21(2)20(23)14-16/h4-8,11,14,17H,3,9-10,12-13,15H2,1-2H3.
What are the key properties of 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one?
4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 47533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).