[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate

C25H25F2N5O5 — CID 164584286

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCC(F)(F)CC5)nc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H25F2N5O5/c26-25(27)7-9-31(10-8-25)20-5-3-17(12-28-20)29-24(36)37-14-15-1-2-16-13-32(23(35)18(16)11-15)19-4-6-21(33)30-22(19)34/h1-3,5,11-12,19H,4,6-10,13-14H2,(H,29,36)(H,30,33,34)
InChIKeyWAWYCPMNUBYGEY-UHFFFAOYSA-N
MW513.50 g/mol
LogP2.83
Rot. Bonds5

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate (PubChem CID 164584286) has the molecular formula C25H25F2N5O5 and a molecular weight of 513.50 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate
PubChem CID164584286
Molecular FormulaC25H25F2N5O5
Molecular Weight513.50 g/mol
Exact Mass513.18
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCC(F)(F)CC5)nc4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H25F2N5O5/c26-25(27)7-9-31(10-8-25)20-5-3-17(12-28-20)29-24(36)37-14-15-1-2-16-13-32(23(35)18(16)11-15)19-4-6-21(33)30-22(19)34/h1-3,5,11-12,19H,4,6-10,13-14H2,(H,29,36)(H,30,33,34)
InChIKeyWAWYCPMNUBYGEY-UHFFFAOYSA-N
XLogP2.83
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.50
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate (CID 164584286) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate is O=C1CCC(N2Cc3ccc(COC(=O)Nc4ccc(N5CCC(F)(F)CC5)nc4)cc3C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate?
The InChIKey is WAWYCPMNUBYGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O5/c26-25(27)7-9-31(10-8-25)20-5-3-17(12-28-20)29-24(36)37-14-15-1-2-16-13-32(23(35)18(16)11-15)19-4-6-21(33)30-22(19)34/h1-3,5,11-12,19H,4,6-10,13-14H2,(H,29,36)(H,30,33,34).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate has a molecular weight of 513.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]carbamate is sourced from PubChem (CID 164584286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).