5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

About 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170784548) has the molecular formula C34H37ClN4O4 and a molecular weight of 601.15 g/mol. Its IUPAC name is 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name	5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID	170784548
Molecular Formula	C34H37ClN4O4
Molecular Weight	601.15 g/mol
Exact Mass	600.25
IUPAC Name	5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILES	CC1(C)CCC(CN2C3CCC2CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)=C(c2ccc(Cl)cc2)C1
InChI	InChI=1S/C34H37ClN4O4/c1-34(2)14-13-21(28(16-34)20-3-5-22(35)6-4-20)17-38-24-7-8-25(38)19-37(18-24)23-9-10-26-27(15-23)33(43)39(32(26)42)29-11-12-30(40)36-31(29)41/h3-6,9-10,15,24-25,29H,7-8,11-14,16-19H2,1-2H3,(H,36,40,41)
InChIKey	PLQBZOPQDLPNJR-UHFFFAOYSA-N
XLogP	5.06
TPSA	90.03 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.15
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170784548) is 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CCC(CN2C3CCC2CN(c2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)=C(c2ccc(Cl)cc2)C1.

What is the InChIKey of 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is PLQBZOPQDLPNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37ClN4O4/c1-34(2)14-13-21(28(16-34)20-3-5-22(35)6-4-20)17-38-24-7-8-25(38)19-37(18-24)23-9-10-26-27(15-23)33(43)39(32(26)42)29-11-12-30(40)36-31(29)41/h3-6,9-10,15,24-25,29H,7-8,11-14,16-19H2,1-2H3,(H,36,40,41).

What are the key properties of 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 601.15 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170784548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).