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

C18H21FN2O3 — CID 168874545

IUPAC2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H21FN2O3/c19-16-11-13(21-8-5-12(6-9-21)7-10-22)1-2-14(16)15-3-4-17(23)20-18(15)24/h1-2,10-12,15H,3-9H2,(H,20,23,24)
InChIKeyHMTSRXNBPKDGHI-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.15
Rot. Bonds4

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

2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde (PubChem CID 168874545) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
PubChem CID168874545
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Name2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde
SMILESO=CCC1CCN(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1
InChIInChI=1S/C18H21FN2O3/c19-16-11-13(21-8-5-12(6-9-21)7-10-22)1-2-14(16)15-3-4-17(23)20-18(15)24/h1-2,10-12,15H,3-9H2,(H,20,23,24)
InChIKeyHMTSRXNBPKDGHI-UHFFFAOYSA-N
XLogP2.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.15
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)-3,5-difluorophenyl]piperidin-4-yl]acetaldehyde
CID 166947439
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
(3S)-3-[4-(azetidin-1-yl)-2-chlorophenyl]piperidine-2,6-dione
CID 174105700
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-tert-butyl-4-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperazine-1-carboxylic acid
CID 174235565
3-[3-[4-(3-hydroxypropyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 170325392
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171626777
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]acetaldehyde
CID 146599012
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde?
The IUPAC name of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde (CID 168874545) is 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde.
What is the SMILES notation for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde?
The canonical SMILES for 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde is O=CCC1CCN(c2ccc(C3CCC(=O)NC3=O)c(F)c2)CC1.
What is the InChIKey of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde?
The InChIKey is HMTSRXNBPKDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c19-16-11-13(21-8-5-12(6-9-21)7-10-22)1-2-14(16)15-3-4-17(23)20-18(15)24/h1-2,10-12,15H,3-9H2,(H,20,23,24).
What are the key properties of 2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde?
2-[1-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]piperidin-4-yl]acetaldehyde has a molecular weight of 332.38 g/mol, XLogP of 2.15, 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-fluorophenyl]piperidin-4-yl]acetaldehyde is sourced from PubChem (CID 168874545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).