3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione

C24H27F2N5O3 — CID 171541249

IUPAC3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@@H]1[C@@H](Nc2nnc(C3CC4(CCC4)C3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C24H27F2N5O3/c1-12-18(27-23-30-29-22(34-23)13-9-24(10-13)5-2-6-24)11-31(12)14-7-16(25)20(17(26)8-14)15-3-4-19(32)28-21(15)33/h7-8,12-13,15,18H,2-6,9-11H2,1H3,(H,27,30)(H,28,32,33)/t12-,15?,18+/m1/s1
InChIKeyIATDMMGSZYXDGP-YOAWFHMFSA-N
MW471.51 g/mol
LogP3.60
Rot. Bonds5

About 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione

3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 171541249) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID171541249
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione
SMILESC[C@@H]1[C@@H](Nc2nnc(C3CC4(CCC4)C3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C24H27F2N5O3/c1-12-18(27-23-30-29-22(34-23)13-9-24(10-13)5-2-6-24)11-31(12)14-7-16(25)20(17(26)8-14)15-3-4-19(32)28-21(15)33/h7-8,12-13,15,18H,2-6,9-11H2,1H3,(H,27,30)(H,28,32,33)/t12-,15?,18+/m1/s1
InChIKeyIATDMMGSZYXDGP-YOAWFHMFSA-N
XLogP3.60
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione (CID 171541249) is 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is C[C@@H]1[C@@H](Nc2nnc(C3CC4(CCC4)C3)o2)CN1c1cc(F)c(C2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is IATDMMGSZYXDGP-YOAWFHMFSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-12-18(27-23-30-29-22(34-23)13-9-24(10-13)5-2-6-24)11-31(12)14-7-16(25)20(17(26)8-14)15-3-4-19(32)28-21(15)33/h7-8,12-13,15,18H,2-6,9-11H2,1H3,(H,27,30)(H,28,32,33)/t12-,15?,18+/m1/s1.
What are the key properties of 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione?
3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 471.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-difluoro-4-[(2R,3S)-2-methyl-3-[(5-spiro[3.3]heptan-2-yl-1,3,4-oxadiazol-2-yl)amino]azetidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).