3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

C20H23F3N4O3 — CID 167719026

IUPAC3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN[C@@H]4CCN[C@H](C(F)(F)F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)16-8-13(5-6-24-16)25-9-11-1-2-12-10-27(19(30)14(12)7-11)15-3-4-17(28)26-18(15)29/h1-2,7,13,15-16,24-25H,3-6,8-10H2,(H,26,28,29)/t13-,15?,16+/m1/s1
InChIKeyIHZUGFVLHNMJOG-BXCKNWRKSA-N
MW424.42 g/mol
LogP1.22
Rot. Bonds4

About 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167719026) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167719026
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CN[C@@H]4CCN[C@H](C(F)(F)F)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C20H23F3N4O3/c21-20(22,23)16-8-13(5-6-24-16)25-9-11-1-2-12-10-27(19(30)14(12)7-11)15-3-4-17(28)26-18(15)29/h1-2,7,13,15-16,24-25H,3-6,8-10H2,(H,26,28,29)/t13-,15?,16+/m1/s1
InChIKeyIHZUGFVLHNMJOG-BXCKNWRKSA-N
XLogP1.22
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
3-[5-[[[(1S,5S,6R)-2-azabicyclo[3.2.0]heptan-6-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722071
3-[5-[[[3-(aminomethyl)cyclohexyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167715069
3-[5-[[[3-(2-aminoethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167728972
3-[5-[(1-azaspiro[5.5]undecan-4-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717186
3-[5-[[[(1S,4S,5R)-2-azabicyclo[2.1.1]hexan-5-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722386
3-[5-[(1-oxa-8-azaspiro[4.5]decan-3-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717311
3-[5-[[(2,2-dimethylpiperidin-3-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167726529
3-[5-[[(3-amino-2,2,4,4-tetramethylcyclobutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167718424
3-[5-[[[(1R,2S)-2-(aminomethyl)cyclobutyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167729444
3-[3-oxo-5-[[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735264
3-[5-[(5-azaspiro[3.5]nonan-9-ylamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737887

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167719026) is 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CN[C@@H]4CCN[C@H](C(F)(F)F)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is IHZUGFVLHNMJOG-BXCKNWRKSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c21-20(22,23)16-8-13(5-6-24-16)25-9-11-1-2-12-10-27(19(30)14(12)7-11)15-3-4-17(28)26-18(15)29/h1-2,7,13,15-16,24-25H,3-6,8-10H2,(H,26,28,29)/t13-,15?,16+/m1/s1.
What are the key properties of 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 424.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-5-[[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167719026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).