(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

C19H30N2O2 — CID 42595185

IUPAC(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccccc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O2/c1-18(2,3)14-21-12-8-11-19(23,17(21)22)15-20(4)13-16-9-6-5-7-10-16/h5-7,9-10,23H,8,11-15H2,1-4H3/t19-/m0/s1
InChIKeyOQAAYONMPAOBQS-IBGZPJMESA-N
MW318.46 g/mol
LogP2.52
Rot. Bonds5

About (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (PubChem CID 42595185) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
PubChem CID42595185
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCN(Cc1ccccc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O
InChIInChI=1S/C19H30N2O2/c1-18(2,3)14-21-12-8-11-19(23,17(21)22)15-20(4)13-16-9-6-5-7-10-16/h5-7,9-10,23H,8,11-15H2,1-4H3/t19-/m0/s1
InChIKeyOQAAYONMPAOBQS-IBGZPJMESA-N
XLogP2.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[benzyl(methyl)amino]methyl]-1-(2-cyclohexylethyl)-3-hydroxypiperidin-2-one
CID 56741681
(3S)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]piperidin-2-one
CID 95194355
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]piperidin-2-one
CID 45243707
(3S)-3-[[(2-aminopyrimidin-5-yl)methyl-methylamino]methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 95207502
1-(2,2-dimethylpropyl)-3-hydroxy-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]piperidin-2-one
CID 45222079
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205000
(3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95227431
(3S)-3-hydroxy-3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95228907
(3R)-1-(2,2-dimethylpropyl)-3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]piperidin-2-one
CID 28641247
3-hydroxy-3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-(3-phenylpropyl)piperidin-2-one
CID 56746683
3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 45174681
(3S)-3-hydroxy-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95211593

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (CID 42595185) is (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is CN(Cc1ccccc1)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O.
What is the InChIKey of (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The InChIKey is OQAAYONMPAOBQS-IBGZPJMESA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)14-21-12-8-11-19(23,17(21)22)15-20(4)13-16-9-6-5-7-10-16/h5-7,9-10,23H,8,11-15H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
(3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[benzyl(methyl)amino]methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42595185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).