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

C19H22N4O4 — CID 167728092

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNC4CCCNC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H22N4O4/c24-16-6-5-15(17(25)22-16)23-18(26)13-4-3-11(8-14(13)19(23)27)9-21-12-2-1-7-20-10-12/h3-4,8,12,15,20-21H,1-2,5-7,9-10H2,(H,22,24,25)
InChIKeyWWMSUCKCYBNKBA-UHFFFAOYSA-N
MW370.41 g/mol
LogP-0.07
Rot. Bonds4

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

2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione (PubChem CID 167728092) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione
PubChem CID167728092
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccc(CNC4CCCNC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C19H22N4O4/c24-16-6-5-15(17(25)22-16)23-18(26)13-4-3-11(8-14(13)19(23)27)9-21-12-2-1-7-20-10-12/h3-4,8,12,15,20-21H,1-2,5-7,9-10H2,(H,22,24,25)
InChIKeyWWMSUCKCYBNKBA-UHFFFAOYSA-N
XLogP-0.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

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-[[(3-pyrrolidin-3-ylcyclobutyl)amino]methyl]isoindole-1,3-dione
CID 167726514
5-[(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-5-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728719
5-[[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716886
3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
5-[[(2,2-dimethylpiperidin-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729966
2-(2,6-dioxopiperidin-3-yl)-5-[[(3-phenylpiperidin-4-yl)amino]methyl]isoindole-1,3-dione
CID 167738310
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-[[[3-(methylaminomethyl)cyclohexyl]amino]methyl]isoindole-1,3-dione
CID 167737448
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R,4R)-4-methylpyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167738444
5-[[(2-cyclopropylpiperidin-4-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729615
5-[(6-azaspiro[3.4]octan-8-ylamino)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167732932

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione (CID 167728092) is 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CNC4CCCNC4)cc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione?
The InChIKey is WWMSUCKCYBNKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-16-6-5-15(17(25)22-16)23-18(26)13-4-3-11(8-14(13)19(23)27)9-21-12-2-1-7-20-10-12/h3-4,8,12,15,20-21H,1-2,5-7,9-10H2,(H,22,24,25).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of -0.07, 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)-5-[(piperidin-3-ylamino)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167728092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).