3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione

C125H166N12O24 — CID 159605896

IUPAC3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H34N2O4.C23H32N2O4.C22H30N2O4.C21H28N2O4.C20H26N2O4.C15H16N2O4/c1-2-3-4-5-6-7-8-9-10-16-30-21-13-11-12-18-19(21)17-26(24(18)29)20-14-15-22(27)25-23(20)28;1-2-3-4-5-6-7-8-9-15-29-20-12-10-11-17-18(20)16-25(23(17)28)19-13-14-21(26)24-22(19)27;1-2-3-4-5-6-7-8-14-28-19-11-9-10-16-17(19)15-24(22(16)27)18-12-13-20(25)23-21(18)26;1-2-3-4-5-6-7-13-27-18-10-8-9-15-16(18)14-23(21(15)26)17-11-12-19(24)22-20(17)25;1-2-3-4-5-6-12-26-17-9-7-8-14-15(17)13-22(20(14)25)16-10-11-18(23)21-19(16)24;1-2-21-12-5-3-4-9-10(12)8-17(15(9)20)11-6-7-13(18)16-14(11)19/h11-13,20H,2-10,14-17H2,1H3,(H,25,27,28);10-12,19H,2-9,13-16H2,1H3,(H,24,26,27);9-11,18H,2-8,12-15H2,1H3,(H,23,25,26);8-10,17H,2-7,11-14H2,1H3,(H,22,24,25);7-9,16H,2-6,10-13H2,1H3,(H,21,23,24);3-5,11H,2,6-8H2,1H3,(H,16,18,19)
InChIKeyMMBOTDSDKUQCKQ-UHFFFAOYSA-N
MW2220.76 g/mol
LogP18.73
Rot. Bonds53

About 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 159605896) has the molecular formula C125H166N12O24 and a molecular weight of 2220.76 g/mol. Its IUPAC name is 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID159605896
Molecular FormulaC125H166N12O24
Molecular Weight2220.76 g/mol
Exact Mass2219.21
IUPAC Name3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C24H34N2O4.C23H32N2O4.C22H30N2O4.C21H28N2O4.C20H26N2O4.C15H16N2O4/c1-2-3-4-5-6-7-8-9-10-16-30-21-13-11-12-18-19(21)17-26(24(18)29)20-14-15-22(27)25-23(20)28;1-2-3-4-5-6-7-8-9-15-29-20-12-10-11-17-18(20)16-25(23(17)28)19-13-14-21(26)24-22(19)27;1-2-3-4-5-6-7-8-14-28-19-11-9-10-16-17(19)15-24(22(16)27)18-12-13-20(25)23-21(18)26;1-2-3-4-5-6-7-13-27-18-10-8-9-15-16(18)14-23(21(15)26)17-11-12-19(24)22-20(17)25;1-2-3-4-5-6-12-26-17-9-7-8-14-15(17)13-22(20(14)25)16-10-11-18(23)21-19(16)24;1-2-21-12-5-3-4-9-10(12)8-17(15(9)20)11-6-7-13(18)16-14(11)19/h11-13,20H,2-10,14-17H2,1H3,(H,25,27,28);10-12,19H,2-9,13-16H2,1H3,(H,24,26,27);9-11,18H,2-8,12-15H2,1H3,(H,23,25,26);8-10,17H,2-7,11-14H2,1H3,(H,22,24,25);7-9,16H,2-6,10-13H2,1H3,(H,21,23,24);3-5,11H,2,6-8H2,1H3,(H,16,18,19)
InChIKeyMMBOTDSDKUQCKQ-UHFFFAOYSA-N
XLogP18.73
TPSA454.26 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds53
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.76
LogP ≤ 518.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[7-(5-hydroxypentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166586
3-[7-(4-octoxyphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 141341745
3-[3-oxo-7-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673284
3-[7-[7-(cyclohexylamino)heptoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156788820
tert-butyl 7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]heptanoate
CID 171481123
tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]decanoate
CID 171481158
3-[3-oxo-7-(2-phenylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 25015584
5-(7-hexoxy-3-oxo-1H-isoindol-2-yl)cycloheptane-1,4-dione
CID 123173778
3-[3-oxo-7-(piperidin-4-ylmethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67335453
icosyl N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]carbamate
CID 73294184
3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 175669276
3-[3-oxo-7-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168899332

Frequently Asked Questions

What is the IUPAC name of 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione (CID 159605896) is 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione is CCCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCCCCCCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.CCOc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is MMBOTDSDKUQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4.C23H32N2O4.C22H30N2O4.C21H28N2O4.C20H26N2O4.C15H16N2O4/c1-2-3-4-5-6-7-8-9-10-16-30-21-13-11-12-18-19(21)17-26(24(18)29)20-14-15-22(27)25-23(20)28;1-2-3-4-5-6-7-8-9-15-29-20-12-10-11-17-18(20)16-25(23(17)28)19-13-14-21(26)24-22(19)27;1-2-3-4-5-6-7-8-14-28-19-11-9-10-16-17(19)15-24(22(16)27)18-12-13-20(25)23-21(18)26;1-2-3-4-5-6-7-13-27-18-10-8-9-15-16(18)14-23(21(15)26)17-11-12-19(24)22-20(17)25;1-2-3-4-5-6-12-26-17-9-7-8-14-15(17)13-22(20(14)25)16-10-11-18(23)21-19(16)24;1-2-21-12-5-3-4-9-10(12)8-17(15(9)20)11-6-7-13(18)16-14(11)19/h11-13,20H,2-10,14-17H2,1H3,(H,25,27,28);10-12,19H,2-9,13-16H2,1H3,(H,24,26,27);9-11,18H,2-8,12-15H2,1H3,(H,23,25,26);8-10,17H,2-7,11-14H2,1H3,(H,22,24,25);7-9,16H,2-6,10-13H2,1H3,(H,21,23,24);3-5,11H,2,6-8H2,1H3,(H,16,18,19).
What are the key properties of 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 2220.76 g/mol, XLogP of 18.73, 53 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-decoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-ethoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-heptoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-nonoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(7-octoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(3-oxo-7-undecoxy-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 159605896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).