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

C25H26FN5O5 — CID 164584135

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4cnc(N5CCCCC5)c(F)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN5O5/c26-19-11-17(12-27-22(19)30-8-2-1-3-9-30)28-25(35)36-14-15-4-5-16-13-31(24(34)18(16)10-15)20-6-7-21(32)29-23(20)33/h4-5,10-12,20H,1-3,6-9,13-14H2,(H,28,35)(H,29,32,33)
InChIKeyASANYZRQUPXXDD-UHFFFAOYSA-N
MW495.51 g/mol
LogP2.72
Rot. Bonds5

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

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate (PubChem CID 164584135) has the molecular formula C25H26FN5O5 and a molecular weight of 495.51 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate
PubChem CID164584135
Molecular FormulaC25H26FN5O5
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate
SMILESO=C1CCC(N2Cc3ccc(COC(=O)Nc4cnc(N5CCCCC5)c(F)c4)cc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN5O5/c26-19-11-17(12-27-22(19)30-8-2-1-3-9-30)28-25(35)36-14-15-4-5-16-13-31(24(34)18(16)10-15)20-6-7-21(32)29-23(20)33/h4-5,10-12,20H,1-3,6-9,13-14H2,(H,28,35)(H,29,32,33)
InChIKeyASANYZRQUPXXDD-UHFFFAOYSA-N
XLogP2.72
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate (CID 164584135) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-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-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate is O=C1CCC(N2Cc3ccc(COC(=O)Nc4cnc(N5CCCCC5)c(F)c4)cc3C2=O)C(=O)N1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate?
The InChIKey is ASANYZRQUPXXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O5/c26-19-11-17(12-27-22(19)30-8-2-1-3-9-30)28-25(35)36-14-15-4-5-16-13-31(24(34)18(16)10-15)20-6-7-21(32)29-23(20)33/h4-5,10-12,20H,1-3,6-9,13-14H2,(H,28,35)(H,29,32,33).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate has a molecular weight of 495.51 g/mol, XLogP of 2.72, 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-(5-fluoro-6-piperidin-1-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 164584135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).