(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one

C17H32N2O2 — CID 164604199

IUPAC(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC(O[C@H](C)[C@H](N)C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-13(15-9-5-3-6-10-15)21-14(2)16(18)17(20)19-11-7-4-8-12-19/h13-16H,3-12,18H2,1-2H3/t13?,14-,16+/m1/s1
InChIKeyQUOGNWUNNAYBAK-VVRWDSKXSA-N
MW296.45 g/mol
LogP2.70
Rot. Bonds5

About (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one

(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one (PubChem CID 164604199) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one
PubChem CID164604199
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one
SMILESCC(O[C@H](C)[C@H](N)C(=O)N1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32N2O2/c1-13(15-9-5-3-6-10-15)21-14(2)16(18)17(20)19-11-7-4-8-12-19/h13-16H,3-12,18H2,1-2H3/t13?,14-,16+/m1/s1
InChIKeyQUOGNWUNNAYBAK-VVRWDSKXSA-N
XLogP2.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
CID 164604854
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 164604915
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)butan-1-one
CID 164604981
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-1-one
CID 164605044
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170755478

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one (CID 164604199) is (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one is CC(O[C@H](C)[C@H](N)C(=O)N1CCCCC1)C1CCCCC1.
What is the InChIKey of (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one?
The InChIKey is QUOGNWUNNAYBAK-VVRWDSKXSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(15-9-5-3-6-10-15)21-14(2)16(18)17(20)19-11-7-4-8-12-19/h13-16H,3-12,18H2,1-2H3/t13?,14-,16+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one?
(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 164604199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).