2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde

C18H20F2N2O3 — CID 166947439

IUPAC2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H20F2N2O3/c19-14-9-12(22-6-3-11(4-7-22)5-8-23)10-15(20)17(14)13-1-2-16(24)21-18(13)25/h8-11,13H,1-7H2,(H,21,24,25)
InChIKeyDIAWUSCQCARXIQ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde

2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde (PubChem CID 166947439) has the molecular formula C18H20F2N2O3 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
PubChem CID166947439
Molecular FormulaC18H20F2N2O3
Molecular Weight350.37 g/mol
Exact Mass350.14
IUPAC Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H20F2N2O3/c19-14-9-12(22-6-3-11(4-7-22)5-8-23)10-15(20)17(14)13-1-2-16(24)21-18(13)25/h8-11,13H,1-7H2,(H,21,24,25)
InChIKeyDIAWUSCQCARXIQ-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
CID 168874545
ethyl 4-[[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]methyl]piperidine-1-carboxylate
CID 178161184
1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]pyrrolidine-3-carboxylic acid
CID 170107094
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245
3-[4-(3-aminoazetidin-1-yl)-2-fluoro-6-methylphenyl]piperidine-2,6-dione
CID 171541260
3-[2,6-difluoro-4-[(3S,4S)-3-fluoro-4-piperazin-1-ylpiperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170185699
3-[4-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 171541033
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
butane;3-(2,6-difluoro-4-methylphenyl)piperidine-2,6-dione
CID 172617426
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidin-3-yl] N-cyclopropylcarbamate
CID 170155051
3-[4-(2-cyclohexylethyl)-2,6-difluorophenyl]piperidine-2,6-dione
CID 170129880

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde (CID 166947439) is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde is O=CCC1CCN(c2cc(F)c(C3CCC(=O)NC3=O)c(F)c2)CC1.
What is the InChIKey of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde?
The InChIKey is DIAWUSCQCARXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3/c19-14-9-12(22-6-3-11(4-7-22)5-8-23)10-15(20)17(14)13-1-2-16(24)21-18(13)25/h8-11,13H,1-7H2,(H,21,24,25).
What are the key properties of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde?
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde has a molecular weight of 350.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 166947439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).