3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 156792013) has the molecular formula C30H35N3O6 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	156792013
Molecular Formula	C30H35N3O6
Molecular Weight	533.63 g/mol
Exact Mass	533.25
IUPAC Name	3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	COc1ccc(C(C)(C)C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
InChI	InChI=1S/C30H35N3O6/c1-30(2,20-7-9-22(38-3)10-8-20)29(37)32-15-5-4-6-21(32)18-39-23-11-12-24-19(16-23)17-33(28(24)36)25-13-14-26(34)31-27(25)35/h7-12,16,21,25H,4-6,13-15,17-18H2,1-3H3,(H,31,34,35)
InChIKey	DVCAJUHLWRHCCT-UHFFFAOYSA-N
XLogP	3.19
TPSA	105.25 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	3.19
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 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 156792013) is 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is COc1ccc(C(C)(C)C(=O)N2CCCCC2COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is DVCAJUHLWRHCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6/c1-30(2,20-7-9-22(38-3)10-8-20)29(37)32-15-5-4-6-21(32)18-39-23-11-12-24-19(16-23)17-33(28(24)36)25-13-14-26(34)31-27(25)35/h7-12,16,21,25H,4-6,13-15,17-18H2,1-3H3,(H,31,34,35).

What are the key properties of 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 533.63 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[2-(4-methoxyphenyl)-2-methylpropanoyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 156792013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).