2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione

C22H23N5O5 — CID 167718274

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H23N5O5/c28-18-4-3-17(19(29)26-18)27-20(30)14-2-1-12(9-15(14)21(27)31)10-24-22-25-16(11-32-22)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H,24,25)(H,26,28,29)
InChIKeyVPZKRHKSWAEQBJ-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.15
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione (PubChem CID 167718274) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione
PubChem CID167718274
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H23N5O5/c28-18-4-3-17(19(29)26-18)27-20(30)14-2-1-12(9-15(14)21(27)31)10-24-22-25-16(11-32-22)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H,24,25)(H,26,28,29)
InChIKeyVPZKRHKSWAEQBJ-UHFFFAOYSA-N
XLogP1.15
TPSA133.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167738643
2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1H-pyrazol-5-yl)amino]methyl]isoindole-1,3-dione
CID 167741770
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R)-pyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167717864
2-(2,6-dioxopiperidin-3-yl)-5-[(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-3-ylamino)methyl]isoindole-1,3-dione
CID 167731006
2-(2,6-dioxopiperidin-3-yl)-5-[(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-ylamino)methyl]isoindole-1,3-dione
CID 167716432
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
5-[[(6-amino-2-pyridinyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733851
5-[[[5-(aminomethyl)-1,2-oxazol-3-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724422
2-(2,6-dioxopiperidin-3-yl)-5-[[(5-phenylazepan-4-yl)amino]methyl]isoindole-1,3-dione
CID 167741307
2-(2,6-dioxopiperidin-3-yl)-5-[[[(4R,5R)-5-phenylazepan-4-yl]amino]methyl]isoindole-1,3-dione
CID 167730215
2-(2,6-dioxopiperidin-3-yl)-5-[[2-(4-methylpiperidin-4-yl)ethylamino]methyl]isoindole-1,3-dione
CID 167715625
5-[(6-azaspiro[2.5]octan-2-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737408

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione (CID 167718274) is 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CNc4nc(C5CCNCC5)co4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione?
The InChIKey is VPZKRHKSWAEQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c28-18-4-3-17(19(29)26-18)27-20(30)14-2-1-12(9-15(14)21(27)31)10-24-22-25-16(11-32-22)13-5-7-23-8-6-13/h1-2,9,11,13,17,23H,3-8,10H2,(H,24,25)(H,26,28,29).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione has a molecular weight of 437.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[(4-piperidin-4-yl-1,3-oxazol-2-yl)amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167718274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).