4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C16H18N4O5 — CID 171158431

IUPAC4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N4O5/c17-6-8(21)7-18-10-3-1-2-9-13(10)16(25)20(15(9)24)11-4-5-12(22)19-14(11)23/h1-3,8,11,18,21H,4-7,17H2,(H,19,22,23)
InChIKeyPRTVMHNDCNFZON-UHFFFAOYSA-N
MW346.34 g/mol
LogP-1.18
Rot. Bonds5

About 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171158431) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID171158431
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N4O5/c17-6-8(21)7-18-10-3-1-2-9-13(10)16(25)20(15(9)24)11-4-5-12(22)19-14(11)23/h1-3,8,11,18,21H,4-7,17H2,(H,19,22,23)
InChIKeyPRTVMHNDCNFZON-UHFFFAOYSA-N
XLogP-1.18
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione with MolForge

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Related Compounds

4-[[(2R)-3-amino-2-methylpropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171809906
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylpropanal
CID 176695128
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
4-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 131999707
4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-2-[(3S)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 166681219
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450
(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzamide
CID 175730464
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169450028

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171158431) is 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCC(O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is PRTVMHNDCNFZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c17-6-8(21)7-18-10-3-1-2-9-13(10)16(25)20(15(9)24)11-4-5-12(22)19-14(11)23/h1-3,8,11,18,21H,4-7,17H2,(H,19,22,23).
What are the key properties of 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 346.34 g/mol, XLogP of -1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171158431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).