1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one

C23H36N2O3 — CID 56757869

IUPAC1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one
SMILESCOc1ccc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H36N2O3/c1-24(17-20-9-11-21(28-2)12-10-20)18-23(27)14-6-15-25(22(23)26)16-13-19-7-4-3-5-8-19/h9-12,19,27H,3-8,13-18H2,1-2H3
InChIKeyQEGTZSYOPGKKRI-UHFFFAOYSA-N
MW388.55 g/mol
LogP3.45
Rot. Bonds8

About 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one

1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one (PubChem CID 56757869) has the molecular formula C23H36N2O3 and a molecular weight of 388.55 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one
PubChem CID56757869
Molecular FormulaC23H36N2O3
Molecular Weight388.55 g/mol
Exact Mass388.27
IUPAC Name1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one
SMILESCOc1ccc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H36N2O3/c1-24(17-20-9-11-21(28-2)12-10-20)18-23(27)14-6-15-25(22(23)26)16-13-19-7-4-3-5-8-19/h9-12,19,27H,3-8,13-18H2,1-2H3
InChIKeyQEGTZSYOPGKKRI-UHFFFAOYSA-N
XLogP3.45
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56739653
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]methyl]piperidin-2-one
CID 95207996
1-(2-cyclohexylethyl)-3-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]-3-hydroxypiperidin-2-one
CID 56742880
1-(2-cyclohexylethyl)-3-hydroxy-3-[[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]piperidin-2-one
CID 56755210
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205000
(3R)-1-(2-cyclohexylethyl)-3-hydroxy-3-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95205891
(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
CID 42595185
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-6-ylmethyl)amino]methyl]piperidin-2-one
CID 95188478
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
CID 95228250
1-(cyclohexylmethyl)-3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]piperidin-2-one
CID 45219362

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one (CID 56757869) is 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one is COc1ccc(CN(C)CC2(O)CCCN(CCC3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one?
The InChIKey is QEGTZSYOPGKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3/c1-24(17-20-9-11-21(28-2)12-10-20)18-23(27)14-6-15-25(22(23)26)16-13-19-7-4-3-5-8-19/h9-12,19,27H,3-8,13-18H2,1-2H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one?
1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one has a molecular weight of 388.55 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 56757869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).