5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C19H21N3O5 — CID 176816727

IUPAC5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C19H21N3O5/c20-10-1-3-11(4-2-10)27-12-5-6-13-14(9-12)19(26)22(18(13)25)15-7-8-16(23)21-17(15)24/h5-6,9-11,15H,1-4,7-8,20H2,(H,21,23,24)
InChIKeyGPFNESSPXONSJY-UHFFFAOYSA-N
MW371.39 g/mol
LogP0.74
Rot. Bonds3

About 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 176816727) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID176816727
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C19H21N3O5/c20-10-1-3-11(4-2-10)27-12-5-6-13-14(9-12)19(26)22(18(13)25)15-7-8-16(23)21-17(15)24/h5-6,9-11,15H,1-4,7-8,20H2,(H,21,23,24)
InChIKeyGPFNESSPXONSJY-UHFFFAOYSA-N
XLogP0.74
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-(3-ethenylcyclobutyl)oxyisoindole-1,3-dione
CID 166769077
2-(2,6-dioxopiperidin-3-yl)-5-[(1S,3R)-3-(4-methoxypiperazin-1-yl)cyclopentyl]oxyisoindole-1,3-dione
CID 134441108
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl] 2-aminoacetate
CID 175130469
5-[3-(2,2-difluorobutoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167691108
5-[3-(2,2-difluoro-3-hydroxypropoxy)cyclobutyl]oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 165371283
2-[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]acetaldehyde
CID 165371630
5-[2-(azetidin-3-yloxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156867219
8-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyoctanal
CID 170704041
5-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 169449996
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 176816727) is 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is GPFNESSPXONSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c20-10-1-3-11(4-2-10)27-12-5-6-13-14(9-12)19(26)22(18(13)25)15-7-8-16(23)21-17(15)24/h5-6,9-11,15H,1-4,7-8,20H2,(H,21,23,24).
What are the key properties of 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 371.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 176816727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).