(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one

C17H26N2O3 — CID 42288084

IUPAC(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCCN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C17H26N2O3/c1-4-18(2)13-17(21)9-6-10-19(16(17)20)12-14-7-5-8-15(11-14)22-3/h5,7-8,11,21H,4,6,9-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyANSDTYKJSWXXGY-QGZVFWFLSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds6

About (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one

(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 42288084) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
PubChem CID42288084
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
SMILESCCN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O
InChIInChI=1S/C17H26N2O3/c1-4-18(2)13-17(21)9-6-10-19(16(17)20)12-14-7-5-8-15(11-14)22-3/h5,7-8,11,21H,4,6,9-10,12-13H2,1-3H3/t17-/m1/s1
InChIKeyANSDTYKJSWXXGY-QGZVFWFLSA-N
XLogP1.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95231017
(3R)-3-[[benzyl(methyl)amino]methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205000
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42457858
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one
CID 95217840
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(3-methylpyrazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95219563
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]piperidin-2-one
CID 95230587
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56712551
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[3-hydroxypropyl(methyl)amino]methyl]piperidin-2-one
CID 95217289
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(3-methylbutyl)amino]methyl]piperidin-2-one
CID 56760666
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56719287

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one (CID 42288084) is (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one is CCN(C)C[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O.
What is the InChIKey of (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
The InChIKey is ANSDTYKJSWXXGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-18(2)13-17(21)9-6-10-19(16(17)20)12-14-7-5-8-15(11-14)22-3/h5,7-8,11,21H,4,6,9-10,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one?
(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 42288084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).