3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C23H27FN4O4 — CID 169311089

IUPAC3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN1CC(C(=O)N2CCC(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)C1
InChIInChI=1S/C23H27FN4O4/c1-26-10-15(11-26)22(31)27-6-4-13(5-7-27)16-8-14-12-28(23(32)17(14)9-18(16)24)19-2-3-20(29)25-21(19)30/h8-9,13,15,19H,2-7,10-12H2,1H3,(H,25,29,30)
InChIKeyALZUIBSELGSUNV-UHFFFAOYSA-N
MW442.49 g/mol
LogP0.85
Rot. Bonds3

About 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169311089) has the molecular formula C23H27FN4O4 and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID169311089
Molecular FormulaC23H27FN4O4
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC Name3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN1CC(C(=O)N2CCC(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)C1
InChIInChI=1S/C23H27FN4O4/c1-26-10-15(11-26)22(31)27-6-4-13(5-7-27)16-8-14-12-28(23(32)17(14)9-18(16)24)19-2-3-20(29)25-21(19)30/h8-9,13,15,19H,2-7,10-12H2,1H3,(H,25,29,30)
InChIKeyALZUIBSELGSUNV-UHFFFAOYSA-N
XLogP0.85
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[1-(2-cyclopentylacetyl)piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311509
3-[6-[1-(cyclobutylmethyl)piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310246
3-(5-fluoro-3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 156787370
3-[5-fluoro-6-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310948
3-[6-[1-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311538
3-[5-fluoro-6-[1-(oxan-4-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311522
3-[5-fluoro-6-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309648
[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-[6-[1-[(4-chloro-1-methylpyrazol-3-yl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310178
3-[6-[1-[(4-cyclopropylphenyl)methyl]piperidin-4-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169311425
3-[5-fluoro-6-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169310630
N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 169310590

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169311089) is 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN1CC(C(=O)N2CCC(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)C1.
What is the InChIKey of 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is ALZUIBSELGSUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4/c1-26-10-15(11-26)22(31)27-6-4-13(5-7-27)16-8-14-12-28(23(32)17(14)9-18(16)24)19-2-3-20(29)25-21(19)30/h8-9,13,15,19H,2-7,10-12H2,1H3,(H,25,29,30).
What are the key properties of 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 442.49 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-[1-(1-methylazetidine-3-carbonyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169311089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).