3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167715274) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	167715274
Molecular Formula	C19H24F2N4O3
Molecular Weight	394.42 g/mol
Exact Mass	394.18
IUPAC Name	3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	CNCC(F)(F)CN(C)Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChI	InChI=1S/C19H24F2N4O3/c1-22-10-19(20,21)11-24(2)8-12-3-4-14-13(7-12)9-25(18(14)28)15-5-6-16(26)23-17(15)27/h3-4,7,15,22H,5-6,8-11H2,1-2H3,(H,23,26,27)
InChIKey	DSTJTTQDNMDGMJ-UHFFFAOYSA-N
XLogP	0.73
TPSA	81.75 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.42
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167715274) is 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNCC(F)(F)CN(C)Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is DSTJTTQDNMDGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-22-10-19(20,21)11-24(2)8-12-3-4-14-13(7-12)9-25(18(14)28)15-5-6-16(26)23-17(15)27/h3-4,7,15,22H,5-6,8-11H2,1-2H3,(H,23,26,27).

What are the key properties of 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 394.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[[2,2-difluoro-3-(methylamino)propyl]-methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167715274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).