methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate

C17H20FN3O3 — CID 95280296

IUPACmethyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C17H20FN3O3/c1-11-19-16(24-20-11)13-7-9-21(10-8-13)15(17(22)23-2)12-3-5-14(18)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyFLLLUAMCHAPFHL-OAHLLOKOSA-N
MW333.36 g/mol
LogP2.61
Rot. Bonds4

About methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate

methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate (PubChem CID 95280296) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
PubChem CID95280296
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C17H20FN3O3/c1-11-19-16(24-20-11)13-7-9-21(10-8-13)15(17(22)23-2)12-3-5-14(18)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t15-/m1/s1
InChIKeyFLLLUAMCHAPFHL-OAHLLOKOSA-N
XLogP2.61
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate (CID 95280296) is methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate is COC(=O)[C@@H](c1ccc(F)cc1)N1CCC(c2nc(C)no2)CC1.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
The InChIKey is FLLLUAMCHAPFHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-19-16(24-20-11)13-7-9-21(10-8-13)15(17(22)23-2)12-3-5-14(18)6-4-12/h3-6,13,15H,7-10H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate?
methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate has a molecular weight of 333.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 95280296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).