3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one

C22H34N2O2 — CID 56741681

IUPAC3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccccc1)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C22H34N2O2/c1-23(17-20-11-6-3-7-12-20)18-22(26)14-8-15-24(21(22)25)16-13-19-9-4-2-5-10-19/h3,6-7,11-12,19,26H,2,4-5,8-10,13-18H2,1H3
InChIKeySEJHKQCHENDGKQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.44
Rot. Bonds7

About 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one

3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one (PubChem CID 56741681) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
PubChem CID56741681
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccccc1)CC1(O)CCCN(CCC2CCCCC2)C1=O
InChIInChI=1S/C22H34N2O2/c1-23(17-20-11-6-3-7-12-20)18-22(26)14-8-15-24(21(22)25)16-13-19-9-4-2-5-10-19/h3,6-7,11-12,19,26H,2,4-5,8-10,13-18H2,1H3
InChIKeySEJHKQCHENDGKQ-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one (CID 56741681) is 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one is CN(Cc1ccccc1)CC1(O)CCCN(CCC2CCCCC2)C1=O.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
The InChIKey is SEJHKQCHENDGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-23(17-20-11-6-3-7-12-20)18-22(26)14-8-15-24(21(22)25)16-13-19-9-4-2-5-10-19/h3,6-7,11-12,19,26H,2,4-5,8-10,13-18H2,1H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one?
3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one has a molecular weight of 358.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 56741681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).