1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one

C17H26N2O2 — CID 104679977

IUPAC1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
SMILESCCOc1ccccc1C(CN1CCCC(C)C1=O)NC
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-14(16)15(18-3)12-19-11-7-8-13(2)17(19)20/h5-6,9-10,13,15,18H,4,7-8,11-12H2,1-3H3
InChIKeySGVPDWBQFBLLKM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds6

About 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one

1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one (PubChem CID 104679977) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
PubChem CID104679977
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
SMILESCCOc1ccccc1C(CN1CCCC(C)C1=O)NC
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-14(16)15(18-3)12-19-11-7-8-13(2)17(19)20/h5-6,9-10,13,15,18H,4,7-8,11-12H2,1-3H3
InChIKeySGVPDWBQFBLLKM-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-(2-ethoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)-N-methylethanamine
CID 103532336
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491847
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511467
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
N-[(1R)-1-(2-ethoxyphenyl)-3-oxo-3-piperidin-1-ylpropyl]acetamide
CID 95282390
1-(2-ethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfinyl)ethanamine
CID 64656878

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one (CID 104679977) is 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one is CCOc1ccccc1C(CN1CCCC(C)C1=O)NC.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The InChIKey is SGVPDWBQFBLLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-14(16)15(18-3)12-19-11-7-8-13(2)17(19)20/h5-6,9-10,13,15,18H,4,7-8,11-12H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104679977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).