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

C24H23N3O4 — CID 175658656

IUPAC4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(N(Cc4ccccc4)CC4CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H23N3O4/c28-20-12-11-19(22(29)25-20)27-23(30)17-7-4-8-18(21(17)24(27)31)26(14-16-9-10-16)13-15-5-2-1-3-6-15/h1-8,16,19H,9-14H2,(H,25,28,29)
InChIKeyKPPKNKSEZMVGTD-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.50
Rot. Bonds6

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

4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 175658656) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID175658656
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cccc(N(Cc4ccccc4)CC4CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C24H23N3O4/c28-20-12-11-19(22(29)25-20)27-23(30)17-7-4-8-18(21(17)24(27)31)26(14-16-9-10-16)13-15-5-2-1-3-6-15/h1-8,16,19H,9-14H2,(H,25,28,29)
InChIKeyKPPKNKSEZMVGTD-UHFFFAOYSA-N
XLogP2.50
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
CID 171158422
3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
CID 171158371
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-[3-aminopropyl(but-3-ynyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158456
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
2-[3-azidopropyl-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetic acid
CID 171158461
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]isoindole-1,3-dione
CID 175659786

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 175658656) is 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cccc(N(Cc4ccccc4)CC4CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KPPKNKSEZMVGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-20-12-11-19(22(29)25-20)27-23(30)17-7-4-8-18(21(17)24(27)31)26(14-16-9-10-16)13-15-5-2-1-3-6-15/h1-8,16,19H,9-14H2,(H,25,28,29).
What are the key properties of 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 417.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(cyclopropylmethyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 175658656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).