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

C16H24F2N4O2 — CID 166600665

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCC(C)c1noc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H24F2N4O2/c1-11(2)14-19-13(24-20-14)10-21-6-3-12(9-21)15(23)22-7-4-16(17,18)5-8-22/h11-12H,3-10H2,1-2H3
InChIKeyPGEHFLPOJKYGTL-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.27
Rot. Bonds4

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

(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 166600665) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
PubChem CID166600665
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCC(C)c1noc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H24F2N4O2/c1-11(2)14-19-13(24-20-14)10-21-6-3-12(9-21)15(23)22-7-4-16(17,18)5-8-22/h11-12H,3-10H2,1-2H3
InChIKeyPGEHFLPOJKYGTL-UHFFFAOYSA-N
XLogP2.27
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone (CID 166600665) is (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone is CC(C)c1noc(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is PGEHFLPOJKYGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-11(2)14-19-13(24-20-14)10-21-6-3-12(9-21)15(23)22-7-4-16(17,18)5-8-22/h11-12H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 342.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 166600665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).