(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol

C12H21N3O4 — CID 70715898

IUPAC(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2noc(COC)n2)C[C@H]1O
InChIInChI=1S/C12H21N3O4/c1-3-12(17)4-5-15(6-9(12)16)7-10-13-11(8-18-2)19-14-10/h9,16-17H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyZEORDXIZIUIZDI-BXKDBHETSA-N
MW271.32 g/mol
LogP-0.08
Rot. Bonds5

About (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol

(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol (PubChem CID 70715898) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
PubChem CID70715898
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(Cc2noc(COC)n2)C[C@H]1O
InChIInChI=1S/C12H21N3O4/c1-3-12(17)4-5-15(6-9(12)16)7-10-13-11(8-18-2)19-14-10/h9,16-17H,3-8H2,1-2H3/t9-,12-/m1/s1
InChIKeyZEORDXIZIUIZDI-BXKDBHETSA-N
XLogP-0.08
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol with MolForge

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Related Compounds

1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 110019482
[(3S)-3-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 97141044
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286653
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
7-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457112
3-[[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 133131575
(3S,4S)-3-hydroxy-1-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-4-propylpiperidine-4-carboxylic acid
CID 164689866
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774467
(3S,4S)-3-(hydroxymethyl)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-propylpiperidin-4-ol
CID 155494816
4-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56877898
[3-[(3-ethyl-3-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752310
2-[5-[1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 110019383

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol?
The IUPAC name of (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol (CID 70715898) is (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol?
The canonical SMILES for (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol is CC[C@@]1(O)CCN(Cc2noc(COC)n2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol?
The InChIKey is ZEORDXIZIUIZDI-BXKDBHETSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-12(17)4-5-15(6-9(12)16)7-10-13-11(8-18-2)19-14-10/h9,16-17H,3-8H2,1-2H3/t9-,12-/m1/s1.
What are the key properties of (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol?
(3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol has a molecular weight of 271.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-ethyl-1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3,4-diol is sourced from PubChem (CID 70715898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).