3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C30H41N3O3 — CID 167279962

IUPAC3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CCCCCCCCNC45CC6CC(CC4C6)C5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H41N3O3/c34-27-11-10-26(28(35)32-27)33-19-23-14-20(8-9-25(23)29(33)36)7-5-3-1-2-4-6-12-31-30-17-21-13-22(18-30)16-24(30)15-21/h8-9,14,21-22,24,26,31H,1-7,10-13,15-19H2,(H,32,34,35)
InChIKeyGVSSEPVWCDJXFG-UHFFFAOYSA-N
MW491.68 g/mol
LogP4.50
Rot. Bonds11

About 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167279962) has the molecular formula C30H41N3O3 and a molecular weight of 491.68 g/mol. Its IUPAC name is 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167279962
Molecular FormulaC30H41N3O3
Molecular Weight491.68 g/mol
Exact Mass491.31
IUPAC Name3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CCCCCCCCNC45CC6CC(CC4C6)C5)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H41N3O3/c34-27-11-10-26(28(35)32-27)33-19-23-14-20(8-9-25(23)29(33)36)7-5-3-1-2-4-6-12-31-30-17-21-13-22(18-30)16-24(30)15-21/h8-9,14,21-22,24,26,31H,1-7,10-13,15-19H2,(H,32,34,35)
InChIKeyGVSSEPVWCDJXFG-UHFFFAOYSA-N
XLogP4.50
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.68
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]heptanoic acid
CID 155177635
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]carbamate
CID 176938730
3-[3-oxo-7-[[4-[2-(3-tricyclo[3.3.1.03,7]nonanylamino)ethyl]phenyl]methylsulfanyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154689923
3-[6-[[[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718493
3-[6-[8-(1-adamantylamino)oct-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156788849
3-[6-[(1-bicyclo[2.2.1]heptanylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168960696
4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide
CID 176977757
3-[6-[[[(2S)-2-bicyclo[2.2.2]octanyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168960626
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765
3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855298
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167279962) is 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CCCCCCCCNC45CC6CC(CC4C6)C5)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GVSSEPVWCDJXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O3/c34-27-11-10-26(28(35)32-27)33-19-23-14-20(8-9-25(23)29(33)36)7-5-3-1-2-4-6-12-31-30-17-21-13-22(18-30)16-24(30)15-21/h8-9,14,21-22,24,26,31H,1-7,10-13,15-19H2,(H,32,34,35).
What are the key properties of 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 491.68 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).