4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

C24H35N5O6 — CID 177054509

IUPAC4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCOCCOCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2O)C3=O)CC1
InChIInChI=1S/C24H35N5O6/c25-8-12-34-14-15-35-13-11-28-9-6-16(7-10-28)26-18-3-1-2-17-21(18)24(33)29(23(17)32)19-4-5-20(30)27-22(19)31/h1-3,16,19,22,26,31H,4-15,25H2,(H,27,30)
InChIKeyOLVXDKYBNLLTTQ-UHFFFAOYSA-N
MW489.57 g/mol
LogP-0.25
Rot. Bonds11

About 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 177054509) has the molecular formula C24H35N5O6 and a molecular weight of 489.57 g/mol. Its IUPAC name is 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID177054509
Molecular FormulaC24H35N5O6
Molecular Weight489.57 g/mol
Exact Mass489.26
IUPAC Name4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCOCCOCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2O)C3=O)CC1
InChIInChI=1S/C24H35N5O6/c25-8-12-34-14-15-35-13-11-28-9-6-16(7-10-28)26-18-3-1-2-17-21(18)24(33)29(23(17)32)19-4-5-20(30)27-22(19)31/h1-3,16,19,22,26,31H,4-15,25H2,(H,27,30)
InChIKeyOLVXDKYBNLLTTQ-UHFFFAOYSA-N
XLogP-0.25
TPSA146.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-[7-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138694260
tert-butyl N-[2-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 167041549
4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156865550
4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidin-1-yl]butylcarbamic acid
CID 166772056
3-[2-[2-[2-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethoxy]propanoic acid
CID 167471229
3-[7-[[1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]piperidin-4-yl]amino]-2-oxido-3-oxo-1H-isoindol-2-ium-2-yl]piperidine-2,6-dione
CID 138695907
tert-butyl N-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]carbamate
CID 170395116
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-[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
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propanamide
CID 155292100
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 139035832

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione (CID 177054509) is 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is NCCOCCOCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2O)C3=O)CC1.
What is the InChIKey of 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is OLVXDKYBNLLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O6/c25-8-12-34-14-15-35-13-11-28-9-6-16(7-10-28)26-18-3-1-2-17-21(18)24(33)29(23(17)32)19-4-5-20(30)27-22(19)31/h1-3,16,19,22,26,31H,4-15,25H2,(H,27,30).
What are the key properties of 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 489.57 g/mol, XLogP of -0.25, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-2-(2-hydroxy-6-oxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 177054509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).