5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C26H28N4O4 — CID 167717593

IUPAC5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN(Cc4ccccc4)C4CCCNC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O4/c31-23-11-10-22(24(32)28-23)30-25(33)20-9-8-18(13-21(20)26(30)34)16-29(19-7-4-12-27-14-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,19,22,27H,4,7,10-12,14-16H2,(H,28,31,32)
InChIKeyRIAZBRSQUUYZHS-UHFFFAOYSA-N
MW460.53 g/mol
LogP1.84
Rot. Bonds6

About 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167717593) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167717593
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CN(Cc4ccccc4)C4CCCNC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C26H28N4O4/c31-23-11-10-22(24(32)28-23)30-25(33)20-9-8-18(13-21(20)26(30)34)16-29(19-7-4-12-27-14-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,19,22,27H,4,7,10-12,14-16H2,(H,28,31,32)
InChIKeyRIAZBRSQUUYZHS-UHFFFAOYSA-N
XLogP1.84
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione
CID 167728092
2-(2,6-dioxopiperidin-3-yl)-5-[[piperidin-4-yl(2,2,2-trifluoroethyl)amino]methyl]isoindole-1,3-dione
CID 167736911
5-[[azetidin-3-yl(oxetan-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723499
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R)-pyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167717864
5-[[2-(azetidin-3-yl)ethyl-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724564
2-(2,6-dioxopiperidin-3-yl)-5-[[(3-phenylpiperidin-4-yl)amino]methyl]isoindole-1,3-dione
CID 167738310
5-[[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167718447
2-(2,6-dioxopiperidin-3-yl)-5-[[(3-pyrrolidin-3-ylcyclobutyl)amino]methyl]isoindole-1,3-dione
CID 167726514
5-[(3-azabicyclo[5.1.0]octan-7-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726409
2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
CID 146411095
2-(2,6-dioxopiperidin-3-yl)-5-[[methyl-[3-(methylamino)propyl]amino]methyl]isoindole-1,3-dione
CID 167735217
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167717593) is 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CN(Cc4ccccc4)C4CCCNC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is RIAZBRSQUUYZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-23-11-10-22(24(32)28-23)30-25(33)20-9-8-18(13-21(20)26(30)34)16-29(19-7-4-12-27-14-19)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,13,19,22,27H,4,7,10-12,14-16H2,(H,28,31,32).
What are the key properties of 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 460.53 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[benzyl(piperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167717593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).