3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C22H24N4O3 — CID 167735021

IUPAC3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@@H](CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccccc1
InChIInChI=1S/C22H24N4O3/c23-17(14-5-2-1-3-6-14)12-24-11-15-7-4-8-16-13-26(22(29)20(15)16)18-9-10-19(27)25-21(18)28/h1-8,17-18,24H,9-13,23H2,(H,25,27,28)/t17-,18?/m0/s1
InChIKeyQFAQZWGJAATQPJ-ZENAZSQFSA-N
MW392.46 g/mol
LogP1.24
Rot. Bonds6

About 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167735021) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167735021
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESN[C@@H](CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccccc1
InChIInChI=1S/C22H24N4O3/c23-17(14-5-2-1-3-6-14)12-24-11-15-7-4-8-16-13-26(22(29)20(15)16)18-9-10-19(27)25-21(18)28/h1-8,17-18,24H,9-13,23H2,(H,25,27,28)/t17-,18?/m0/s1
InChIKeyQFAQZWGJAATQPJ-ZENAZSQFSA-N
XLogP1.24
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[[[(2R)-2-aminobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721688
3-[4-[[(2-amino-4,4,4-trifluorobutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167716609
3-[4-[[(2-amino-4-methoxybutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724272
3-[4-[[[4-(aminomethyl)cyclohexyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722494
3-[4-[[[[(3R,4S)-4-aminooxolan-3-yl]-phenylmethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728549
3-[4-[[(3-ethylazetidin-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167720864
3-[4-[[(2-amino-2-methylbutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739062
3-[4-[[2-(2-aminophenoxy)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725069
3-[4-[[(5-amino-2-pyridinyl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719917
3-[4-[(3-azabicyclo[3.2.1]octan-8-ylmethylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723290
3-[4-[[[3-(methoxymethyl)azetidin-3-yl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733317
3-[4-[[(3-aminooxolan-3-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733746

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167735021) is 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is N[C@@H](CNCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2)c1ccccc1.
What is the InChIKey of 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is QFAQZWGJAATQPJ-ZENAZSQFSA-N. The full InChI is InChI=1S/C22H24N4O3/c23-17(14-5-2-1-3-6-14)12-24-11-15-7-4-8-16-13-26(22(29)20(15)16)18-9-10-19(27)25-21(18)28/h1-8,17-18,24H,9-13,23H2,(H,25,27,28)/t17-,18?/m0/s1.
What are the key properties of 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 392.46 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[(2R)-2-amino-2-phenylethyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167735021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).