1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one

C17H26N2O2 — CID 104680031

IUPAC1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
SMILESCNC(C)c1ccc(OC)c(CN2CCCC(C)C2=O)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-9-19(17(12)20)11-15-10-14(13(2)18-3)7-8-16(15)21-4/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3
InChIKeyUGDDJOWUVKDUTM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds5

About 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one

1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one (PubChem CID 104680031) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
PubChem CID104680031
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
SMILESCNC(C)c1ccc(OC)c(CN2CCCC(C)C2=O)c1
InChIInChI=1S/C17H26N2O2/c1-12-6-5-9-19(17(12)20)11-15-10-14(13(2)18-3)7-8-16(15)21-4/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3
InChIKeyUGDDJOWUVKDUTM-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one (CID 104680031) is 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one is CNC(C)c1ccc(OC)c(CN2CCCC(C)C2=O)c1.
What is the InChIKey of 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one?
The InChIKey is UGDDJOWUVKDUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-6-5-9-19(17(12)20)11-15-10-14(13(2)18-3)7-8-16(15)21-4/h7-8,10,12-13,18H,5-6,9,11H2,1-4H3.
What are the key properties of 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one?
1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).