2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione

C27H28N4O4 — CID 167742160

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC4c5ccccc5CC45CCNCC5)c3C2=O)C(=O)N1
InChIInChI=1S/C27H28N4O4/c32-21-9-8-20(24(33)30-21)31-25(34)19-7-3-5-17(22(19)26(31)35)15-29-23-18-6-2-1-4-16(18)14-27(23)10-12-28-13-11-27/h1-7,20,23,28-29H,8-15H2,(H,30,32,33)
InChIKeyAVHAKWYEVYGKEE-UHFFFAOYSA-N
MW472.55 g/mol
LogP1.84
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione (PubChem CID 167742160) has the molecular formula C27H28N4O4 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione
PubChem CID167742160
Molecular FormulaC27H28N4O4
Molecular Weight472.55 g/mol
Exact Mass472.21
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(CNC4c5ccccc5CC45CCNCC5)c3C2=O)C(=O)N1
InChIInChI=1S/C27H28N4O4/c32-21-9-8-20(24(33)30-21)31-25(34)19-7-3-5-17(22(19)26(31)35)15-29-23-18-6-2-1-4-16(18)14-27(23)10-12-28-13-11-27/h1-7,20,23,28-29H,8-15H2,(H,30,32,33)
InChIKeyAVHAKWYEVYGKEE-UHFFFAOYSA-N
XLogP1.84
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-azaspiro[4.5]decan-6-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167736475
2-(2,6-dioxopiperidin-3-yl)-4-[[[(1R,2S)-2-piperidin-4-ylcyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167734806
4-[(azocan-4-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167735849
4-[(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723681
2-(2,6-dioxopiperidin-3-yl)-4-[[[(3S,4R)-4-phenylpiperidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167739579
4-[(5-azaspiro[2.5]octan-7-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728988
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(hydroxymethyl)piperidin-4-yl]amino]methyl]isoindole-1,3-dione
CID 167738667
2-(2,6-dioxopiperidin-3-yl)-4-[[(2-phenylpyrrolidin-3-yl)amino]methyl]isoindole-1,3-dione
CID 167739608
4-[[(2-aminospiro[2.3]hexan-5-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167715111
2-(2,6-dioxopiperidin-3-yl)-4-[[(4-piperazin-1-ylcyclohexyl)amino]methyl]isoindole-1,3-dione
CID 167725912
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(4-hydroxypiperidin-4-yl)cyclopropyl]amino]methyl]isoindole-1,3-dione
CID 167741601
4-[[[(1S,5S,6R)-2-azabicyclo[3.2.0]heptan-6-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720267

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione (CID 167742160) is 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(CNC4c5ccccc5CC45CCNCC5)c3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione?
The InChIKey is AVHAKWYEVYGKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4/c32-21-9-8-20(24(33)30-21)31-25(34)19-7-3-5-17(22(19)26(31)35)15-29-23-18-6-2-1-4-16(18)14-27(23)10-12-28-13-11-27/h1-7,20,23,28-29H,8-15H2,(H,30,32,33).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione has a molecular weight of 472.55 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[(spiro[1,3-dihydroindene-2,4'-piperidine]-1-ylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167742160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).