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

C18H20F2N2O4 — CID 166472394

IUPAC2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H20F2N2O4/c19-14-8-13(11-1-2-16(23)21-18(11)26)15(20)7-12(14)10-3-5-22(6-4-10)9-17(24)25/h7-8,10-11H,1-6,9H2,(H,24,25)(H,21,23,26)
InChIKeyXGSWLMBABQKLLI-UHFFFAOYSA-N
MW366.36 g/mol
LogP1.75
Rot. Bonds4

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

2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid (PubChem CID 166472394) has the molecular formula C18H20F2N2O4 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
PubChem CID166472394
Molecular FormulaC18H20F2N2O4
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C18H20F2N2O4/c19-14-8-13(11-1-2-16(23)21-18(11)26)15(20)7-12(14)10-3-5-22(6-4-10)9-17(24)25/h7-8,10-11H,1-6,9H2,(H,24,25)(H,21,23,26)
InChIKeyXGSWLMBABQKLLI-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
CID 166168961
CID 166168961
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
2-[4-[2-fluoro-4-(6-hydroxy-2-oxopiperidin-3-yl)phenyl]piperidin-1-yl]acetic acid
CID 167237711
2-[4-(4-amino-2-fluorophenyl)piperidin-1-yl]acetic acid
CID 156798431
3-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 170953722
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]cyclohexyl]carbamic acid
CID 170309502
3-(3-fluoro-4-piperidin-4-ylphenyl)piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175829694
ethane;3-(2-fluoro-4-methylphenyl)piperidine-2,6-dione
CID 176684006

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid (CID 166472394) is 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2cc(F)c(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid?
The InChIKey is XGSWLMBABQKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O4/c19-14-8-13(11-1-2-16(23)21-18(11)26)15(20)7-12(14)10-3-5-22(6-4-10)9-17(24)25/h7-8,10-11H,1-6,9H2,(H,24,25)(H,21,23,26).
What are the key properties of 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid?
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid has a molecular weight of 366.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 166472394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).