3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione

C19H25F2N3O2 — CID 166116748

IUPAC3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)C(F)(F)C1
InChIInChI=1S/C19H25F2N3O2/c1-12(2)24-10-9-15(19(20,21)11-24)13-3-5-14(6-4-13)22-16-7-8-17(25)23-18(16)26/h3-6,12,15-16,22H,7-11H2,1-2H3,(H,23,25,26)
InChIKeyWLYIPPBPUMPQJK-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.74
Rot. Bonds4

About 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione

3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione (PubChem CID 166116748) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
PubChem CID166116748
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)C(F)(F)C1
InChIInChI=1S/C19H25F2N3O2/c1-12(2)24-10-9-15(19(20,21)11-24)13-3-5-14(6-4-13)22-16-7-8-17(25)23-18(16)26/h3-6,12,15-16,22H,7-11H2,1-2H3,(H,23,25,26)
InChIKeyWLYIPPBPUMPQJK-UHFFFAOYSA-N
XLogP2.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione (CID 166116748) is 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione is CC(C)N1CCC(c2ccc(NC3CCC(=O)NC3=O)cc2)C(F)(F)C1.
What is the InChIKey of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
The InChIKey is WLYIPPBPUMPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-12(2)24-10-9-15(19(20,21)11-24)13-3-5-14(6-4-13)22-16-7-8-17(25)23-18(16)26/h3-6,12,15-16,22H,7-11H2,1-2H3,(H,23,25,26).
What are the key properties of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione?
3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione has a molecular weight of 365.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166116748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).