(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one

C11H22N2O2 — CID 61155723

IUPAC(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCOC1CCN(C(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13-6-4-9(15-3)5-7-13/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyOESTYTFSTAFELY-JTQLQIEISA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one

(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 61155723) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
PubChem CID61155723
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
SMILESCOC1CCN(C(=O)[C@@H](N)C(C)C)CC1
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13-6-4-9(15-3)5-7-13/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1
InChIKeyOESTYTFSTAFELY-JTQLQIEISA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77474038
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2S)-2-amino-1-[(3R)-3-methoxypyrrolidin-1-yl]propan-1-one
CID 66564457
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one (CID 61155723) is (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one is COC1CCN(C(=O)[C@@H](N)C(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is OESTYTFSTAFELY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13-6-4-9(15-3)5-7-13/h8-10H,4-7,12H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one?
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 61155723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).