[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C20H24F2N4O2 — CID 45206643

IUPAC[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCC(C2CCN(Cc3cccc(F)c3F)CC2)C1
InChIInChI=1S/C20H24F2N4O2/c1-13-19(24-28-23-13)20(27)26-10-7-15(12-26)14-5-8-25(9-6-14)11-16-3-2-4-17(21)18(16)22/h2-4,14-15H,5-12H2,1H3
InChIKeyOKWFYHYFHLLECE-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.03
Rot. Bonds4

About [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 45206643) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID45206643
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC Name[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCC(C2CCN(Cc3cccc(F)c3F)CC2)C1
InChIInChI=1S/C20H24F2N4O2/c1-13-19(24-28-23-13)20(27)26-10-7-15(12-26)14-5-8-25(9-6-14)11-16-3-2-4-17(21)18(16)22/h2-4,14-15H,5-12H2,1H3
InChIKeyOKWFYHYFHLLECE-UHFFFAOYSA-N
XLogP3.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 45206643) is [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCC(C2CCN(Cc3cccc(F)c3F)CC2)C1.
What is the InChIKey of [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is OKWFYHYFHLLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-13-19(24-28-23-13)20(27)26-10-7-15(12-26)14-5-8-25(9-6-14)11-16-3-2-4-17(21)18(16)22/h2-4,14-15H,5-12H2,1H3.
What are the key properties of [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 390.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 45206643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).