3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

About 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167735955) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name	3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID	167735955
Molecular Formula	C20H24N4O3
Molecular Weight	368.44 g/mol
Exact Mass	368.18
IUPAC Name	3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILES	CN(CC1=CNCC1)Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChI	InChI=1S/C20H24N4O3/c1-23(11-14-6-7-21-9-14)10-13-2-3-15-12-24(20(27)16(15)8-13)17-4-5-18(25)22-19(17)26/h2-3,8-9,17,21H,4-7,10-12H2,1H3,(H,22,25,26)
InChIKey	WFTDGCPIHWAMMZ-UHFFFAOYSA-N
XLogP	0.76
TPSA	81.75 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	0.76
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-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167735955) is 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(CC1=CNCC1)Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is WFTDGCPIHWAMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-23(11-14-6-7-21-9-14)10-13-2-3-15-12-24(20(27)16(15)8-13)17-4-5-18(25)22-19(17)26/h2-3,8-9,17,21H,4-7,10-12H2,1H3,(H,22,25,26).

What are the key properties of 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[2,3-dihydro-1H-pyrrol-4-ylmethyl(methyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167735955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).