(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

C18H21F2N3O3 — CID 124753479

IUPAC(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3F)CC2)no1
InChIInChI=1S/C18H21F2N3O3/c1-11(25-16-4-3-14(19)10-15(16)20)18(24)23-7-5-13(6-8-23)9-17-21-12(2)26-22-17/h3-4,10-11,13H,5-9H2,1-2H3/t11-/m1/s1
InChIKeyMDBVWGASDSANDM-LLVKDONJSA-N
MW365.38 g/mol
LogP2.90
Rot. Bonds5

About (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one

(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 124753479) has the molecular formula C18H21F2N3O3 and a molecular weight of 365.38 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID124753479
Molecular FormulaC18H21F2N3O3
Molecular Weight365.38 g/mol
Exact Mass365.16
IUPAC Name(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one
SMILESCc1nc(CC2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3F)CC2)no1
InChIInChI=1S/C18H21F2N3O3/c1-11(25-16-4-3-14(19)10-15(16)20)18(24)23-7-5-13(6-8-23)9-17-21-12(2)26-22-17/h3-4,10-11,13H,5-9H2,1-2H3/t11-/m1/s1
InChIKeyMDBVWGASDSANDM-LLVKDONJSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one (CID 124753479) is (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one is Cc1nc(CC2CCN(C(=O)[C@@H](C)Oc3ccc(F)cc3F)CC2)no1.
What is the InChIKey of (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is MDBVWGASDSANDM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21F2N3O3/c1-11(25-16-4-3-14(19)10-15(16)20)18(24)23-7-5-13(6-8-23)9-17-21-12(2)26-22-17/h3-4,10-11,13H,5-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one?
(2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 365.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenoxy)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124753479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).