[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

C16H28N4O3 — CID 86283668

IUPAC[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@@H](CO)CN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H28N4O3/c1-19(5-6-22-2)8-12-7-13(11-21)10-20(9-12)16-17-15(23-18-16)14-3-4-14/h12-14,21H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeySRDLQZOXKYSYEN-CHWSQXEVSA-N
MW324.43 g/mol
LogP0.96
Rot. Bonds8

About [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol

[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (PubChem CID 86283668) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
PubChem CID86283668
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol
SMILESCOCCN(C)C[C@H]1C[C@@H](CO)CN(c2noc(C3CC3)n2)C1
InChIInChI=1S/C16H28N4O3/c1-19(5-6-22-2)8-12-7-13(11-21)10-20(9-12)16-17-15(23-18-16)14-3-4-14/h12-14,21H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeySRDLQZOXKYSYEN-CHWSQXEVSA-N
XLogP0.96
TPSA74.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol (CID 86283668) is [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is COCCN(C)C[C@H]1C[C@@H](CO)CN(c2noc(C3CC3)n2)C1.
What is the InChIKey of [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
The InChIKey is SRDLQZOXKYSYEN-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-19(5-6-22-2)8-12-7-13(11-21)10-20(9-12)16-17-15(23-18-16)14-3-4-14/h12-14,21H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol?
[(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol has a molecular weight of 324.43 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-[[2-methoxyethyl(methyl)amino]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 86283668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).