3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione

C19H22F4N2O2 — CID 166472131

IUPAC3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)C(F)(F)C1
InChIInChI=1S/C19H22F4N2O2/c1-10(2)25-6-5-14(19(22,23)9-25)13-8-15(20)12(7-16(13)21)11-3-4-17(26)24-18(11)27/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,24,26,27)
InChIKeyITYLSSKBONJTQR-UHFFFAOYSA-N
MW386.39 g/mol
LogP3.32
Rot. Bonds3

About 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione

3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione (PubChem CID 166472131) has the molecular formula C19H22F4N2O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione
PubChem CID166472131
Molecular FormulaC19H22F4N2O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC Name3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)C(F)(F)C1
InChIInChI=1S/C19H22F4N2O2/c1-10(2)25-6-5-14(19(22,23)9-25)13-8-15(20)12(7-16(13)21)11-3-4-17(26)24-18(11)27/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,24,26,27)
InChIKeyITYLSSKBONJTQR-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 166116748
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-(2-chloro-3-fluoro-5-propan-2-ylphenyl)piperidine-2,6-dione
CID 176558861
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
3-(1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)piperidine-2,6-dione
CID 166112677
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394
3-[4-(1-propan-2-ylpiperidin-3-yl)phenyl]piperidine-2,6-dione
CID 166117144
3-(5-tert-butyl-4-fluoro-2-methylphenyl)piperidine-2,6-dione
CID 170052283
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)isoindole-1,3-dione
CID 163269333
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione (CID 166472131) is 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione is CC(C)N1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)C(F)(F)C1.
What is the InChIKey of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione?
The InChIKey is ITYLSSKBONJTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N2O2/c1-10(2)25-6-5-14(19(22,23)9-25)13-8-15(20)12(7-16(13)21)11-3-4-17(26)24-18(11)27/h7-8,10-11,14H,3-6,9H2,1-2H3,(H,24,26,27).
What are the key properties of 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione?
3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione has a molecular weight of 386.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione is sourced from PubChem (CID 166472131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).